tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate

C23H28N2O3 — CID 176579345

IUPACtert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate
SMILESCC(C)C(=O)c1ncc(-c2cccc(C3CC3)c2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C23H28N2O3/c1-14(2)21(26)20-19(25-22(27)28-23(3,4)5)12-18(13-24-20)17-8-6-7-16(11-17)15-9-10-15/h6-8,11-15H,9-10H2,1-5H3,(H,25,27)
InChIKeyIGUFYJYUAWKVSK-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.81
Rot. Bonds5

About tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate

tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate (PubChem CID 176579345) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate
PubChem CID176579345
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nametert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate
SMILESCC(C)C(=O)c1ncc(-c2cccc(C3CC3)c2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C23H28N2O3/c1-14(2)21(26)20-19(25-22(27)28-23(3,4)5)12-18(13-24-20)17-8-6-7-16(11-17)15-9-10-15/h6-8,11-15H,9-10H2,1-5H3,(H,25,27)
InChIKeyIGUFYJYUAWKVSK-UHFFFAOYSA-N
XLogP5.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-[3-(1,1-difluoroethyl)phenyl]-2-(2-methylpropanoyl)-3-pyridinyl]carbamate
CID 177118835
tert-butyl N-[2-acetyl-5-(3-methoxyphenyl)-3-pyridinyl]carbamate;ethane
CID 176580229
methyl 5-[3-(2,2-difluoroethyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 177119180
N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide
CID 177119035
N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide
CID 176582558
tert-butyl N-[2-[2-(2-aminoethoxy)ethylcarbamoyl]-5-(3-ethylphenyl)-3-pyridinyl]carbamate
CID 176581654
2-[4-[1-[5-(3-ethylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carbonyl]piperidin-4-yl]oxypiperidin-1-yl]acetic acid
CID 176577507
tert-butyl N-(4-cyclopropyl-2-phenacylphenyl)carbamate
CID 131731722
2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176582208
tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate
CID 90215384
tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate
CID 90960498
5-(3-ethylphenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-2-carboxylic acid
CID 176581566

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate (CID 176579345) is tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate is CC(C)C(=O)c1ncc(-c2cccc(C3CC3)c2)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate?
The InChIKey is IGUFYJYUAWKVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-14(2)21(26)20-19(25-22(27)28-23(3,4)5)12-18(13-24-20)17-8-6-7-16(11-17)15-9-10-15/h6-8,11-15H,9-10H2,1-5H3,(H,25,27).
What are the key properties of tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate?
tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate has a molecular weight of 380.49 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 176579345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).