N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide

C21H25ClN4O2 — CID 166834895

IUPACN-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4O2/c1-14-19(3-2-12-23-14)20(27)25-17-8-10-18(11-9-17)26-21(28)24-13-15-4-6-16(22)7-5-15/h2-7,12,17-18H,8-11,13H2,1H3,(H,25,27)(H2,24,26,28)
InChIKeyYBVQMTNGMDQMBP-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.58
Rot. Bonds5

About N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide

N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 166834895) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID166834895
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC NameN-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4O2/c1-14-19(3-2-12-23-14)20(27)25-17-8-10-18(11-9-17)26-21(28)24-13-15-4-6-16(22)7-5-15/h2-7,12,17-18H,8-11,13H2,1H3,(H,25,27)(H2,24,26,28)
InChIKeyYBVQMTNGMDQMBP-UHFFFAOYSA-N
XLogP3.58
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[4-[(2-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834992
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide
CID 166834763
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
1-[(4-chlorophenyl)methyl]-3-[4-[(6-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834993
N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
CID 97333744
1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea
CID 166834962
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide
CID 78950976
N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78950948
2-N-[(4-chlorophenyl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093837
1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea
CID 95983968
tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 142274095
2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 166834895) is N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NC1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is YBVQMTNGMDQMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-14-19(3-2-12-23-14)20(27)25-17-8-10-18(11-9-17)26-21(28)24-13-15-4-6-16(22)7-5-15/h2-7,12,17-18H,8-11,13H2,1H3,(H,25,27)(H2,24,26,28).
What are the key properties of N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide?
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 166834895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).