tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone

C117H139N13O11 — CID 159042960

IUPACtert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone
SMILESCC(C)(C)OC(=O)Nc1cc(C=C(c2ccccc2)C2CC2)ccn1.CC(C)(C)OC(=O)Nc1cc(CC(O)(c2ccccc2)C2CC2)ccn1.CC(C)(C)OC(=O)Nc1cc(CC(c2ccccc2)C2CC2)ccn1.Cc1ccnc(NC(=O)OC(C)(C)C)c1.NC(=O)Nc1cc(CC(c2ccccc2)C2CC2)ccn1.Nc1cc(CC(c2ccccc2)C2CC2)ccn1.O=C(c1ccccc1)C1CC1
InChIInChI=1S/C21H26N2O3.C21H26N2O2.C21H24N2O2.C17H19N3O.C16H18N2.C11H16N2O2.C10H10O/c1-20(2,3)26-19(24)23-18-13-15(11-12-22-18)14-21(25,17-9-10-17)16-7-5-4-6-8-16;2*1-21(2,3)25-20(24)23-19-14-15(11-12-22-19)13-18(17-9-10-17)16-7-5-4-6-8-16;18-17(21)20-16-11-12(8-9-19-16)10-15(14-6-7-14)13-4-2-1-3-5-13;17-16-11-12(8-9-18-16)10-15(14-6-7-14)13-4-2-1-3-5-13;1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4;11-10(9-6-7-9)8-4-2-1-3-5-8/h4-8,11-13,17,25H,9-10,14H2,1-3H3,(H,22,23,24);4-8,11-12,14,17-18H,9-10,13H2,1-3H3,(H,22,23,24);4-8,11-14,17H,9-10H2,1-3H3,(H,22,23,24);1-5,8-9,11,14-15H,6-7,10H2,(H3,18,19,20,21);1-5,8-9,11,14-15H,6-7,10H2,(H2,17,18);5-7H,1-4H3,(H,12,13,14);1-5,9H,6-7H2
InChIKeyJWHKXKDKFJDHKO-UHFFFAOYSA-N
MW1903.48 g/mol
LogP26.54
Rot. Bonds26

About tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone

tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone (PubChem CID 159042960) has the molecular formula C117H139N13O11 and a molecular weight of 1903.48 g/mol. Its IUPAC name is tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone.

Molecular Properties

Compound Nametert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone
PubChem CID159042960
Molecular FormulaC117H139N13O11
Molecular Weight1903.48 g/mol
Exact Mass1902.07
IUPAC Nametert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone
SMILESCC(C)(C)OC(=O)Nc1cc(C=C(c2ccccc2)C2CC2)ccn1.CC(C)(C)OC(=O)Nc1cc(CC(O)(c2ccccc2)C2CC2)ccn1.CC(C)(C)OC(=O)Nc1cc(CC(c2ccccc2)C2CC2)ccn1.Cc1ccnc(NC(=O)OC(C)(C)C)c1.NC(=O)Nc1cc(CC(c2ccccc2)C2CC2)ccn1.Nc1cc(CC(c2ccccc2)C2CC2)ccn1.O=C(c1ccccc1)C1CC1
InChIInChI=1S/C21H26N2O3.C21H26N2O2.C21H24N2O2.C17H19N3O.C16H18N2.C11H16N2O2.C10H10O/c1-20(2,3)26-19(24)23-18-13-15(11-12-22-18)14-21(25,17-9-10-17)16-7-5-4-6-8-16;2*1-21(2,3)25-20(24)23-19-14-15(11-12-22-19)13-18(17-9-10-17)16-7-5-4-6-8-16;18-17(21)20-16-11-12(8-9-19-16)10-15(14-6-7-14)13-4-2-1-3-5-13;17-16-11-12(8-9-18-16)10-15(14-6-7-14)13-4-2-1-3-5-13;1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4;11-10(9-6-7-9)8-4-2-1-3-5-8/h4-8,11-13,17,25H,9-10,14H2,1-3H3,(H,22,23,24);4-8,11-12,14,17-18H,9-10,13H2,1-3H3,(H,22,23,24);4-8,11-14,17H,9-10H2,1-3H3,(H,22,23,24);1-5,8-9,11,14-15H,6-7,10H2,(H3,18,19,20,21);1-5,8-9,11,14-15H,6-7,10H2,(H2,17,18);5-7H,1-4H3,(H,12,13,14);1-5,9H,6-7H2
InChIKeyJWHKXKDKFJDHKO-UHFFFAOYSA-N
XLogP26.54
TPSA349.10 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001903.48
LogP ≤ 526.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone?
The IUPAC name of tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone (CID 159042960) is tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone.
What is the SMILES notation for tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone?
The canonical SMILES for tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone is CC(C)(C)OC(=O)Nc1cc(C=C(c2ccccc2)C2CC2)ccn1.CC(C)(C)OC(=O)Nc1cc(CC(O)(c2ccccc2)C2CC2)ccn1.CC(C)(C)OC(=O)Nc1cc(CC(c2ccccc2)C2CC2)ccn1.Cc1ccnc(NC(=O)OC(C)(C)C)c1.NC(=O)Nc1cc(CC(c2ccccc2)C2CC2)ccn1.Nc1cc(CC(c2ccccc2)C2CC2)ccn1.O=C(c1ccccc1)C1CC1.
What is the InChIKey of tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone?
The InChIKey is JWHKXKDKFJDHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.C21H26N2O2.C21H24N2O2.C17H19N3O.C16H18N2.C11H16N2O2.C10H10O/c1-20(2,3)26-19(24)23-18-13-15(11-12-22-18)14-21(25,17-9-10-17)16-7-5-4-6-8-16;2*1-21(2,3)25-20(24)23-19-14-15(11-12-22-19)13-18(17-9-10-17)16-7-5-4-6-8-16;18-17(21)20-16-11-12(8-9-19-16)10-15(14-6-7-14)13-4-2-1-3-5-13;17-16-11-12(8-9-18-16)10-15(14-6-7-14)13-4-2-1-3-5-13;1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4;11-10(9-6-7-9)8-4-2-1-3-5-8/h4-8,11-13,17,25H,9-10,14H2,1-3H3,(H,22,23,24);4-8,11-12,14,17-18H,9-10,13H2,1-3H3,(H,22,23,24);4-8,11-14,17H,9-10H2,1-3H3,(H,22,23,24);1-5,8-9,11,14-15H,6-7,10H2,(H3,18,19,20,21);1-5,8-9,11,14-15H,6-7,10H2,(H2,17,18);5-7H,1-4H3,(H,12,13,14);1-5,9H,6-7H2.
What are the key properties of tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone?
tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone has a molecular weight of 1903.48 g/mol, XLogP of 26.54, 26 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethenyl)-2-pyridinyl]carbamate;tert-butyl N-[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-(2-cyclopropyl-2-phenylethyl)pyridin-2-amine;[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea;cyclopropyl(phenyl)methanone is sourced from PubChem (CID 159042960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).