tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate

C22H27ClN2O3 — CID 140558225

IUPACtert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
SMILESCc1ncc(OCC2(CNC(=O)OC(C)(C)C)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3/c1-15-19(16-5-7-17(23)8-6-16)11-18(12-24-15)27-14-22(9-10-22)13-25-20(26)28-21(2,3)4/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,25,26)
InChIKeyIKKBXCTZCICRMG-UHFFFAOYSA-N
MW402.92 g/mol
LogP5.39
Rot. Bonds6

About tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate

tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate (PubChem CID 140558225) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
PubChem CID140558225
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Nametert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
SMILESCc1ncc(OCC2(CNC(=O)OC(C)(C)C)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3/c1-15-19(16-5-7-17(23)8-6-16)11-18(12-24-15)27-14-22(9-10-22)13-25-20(26)28-21(2,3)4/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,25,26)
InChIKeyIKKBXCTZCICRMG-UHFFFAOYSA-N
XLogP5.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.92
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[1-[[5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 140558276
tert-butyl N-(2-hydroxyethyl)carbamate;1-chloro-4-methylbenzene
CID 145267915
tert-butyl-[[1-[[6-chloro-5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamic acid
CID 87572085
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 164938342
tert-butyl N-[[1-(3-chlorophenyl)cyclohexyl]methyl]carbamate
CID 70298157
4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]benzoic acid;dihydrochloride
CID 140558262
(4-chlorophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 137320625
tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate
CID 141342582
tert-butyl N-[2-[[2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 54433492
tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate
CID 140558253
5-(4-chlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide
CID 11951838

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate (CID 140558225) is tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate is Cc1ncc(OCC2(CNC(=O)OC(C)(C)C)CC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate?
The InChIKey is IKKBXCTZCICRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-15-19(16-5-7-17(23)8-6-16)11-18(12-24-15)27-14-22(9-10-22)13-25-20(26)28-21(2,3)4/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,25,26).
What are the key properties of tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate?
tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate has a molecular weight of 402.92 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate is sourced from PubChem (CID 140558225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).