4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C20H22N2O4 — CID 120524557

IUPAC4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c23-19(22-17-8-6-15(7-9-17)20(24)25)16-10-11-21-18(12-16)26-13-14-4-2-1-3-5-14/h1-5,10-12,15,17H,6-9,13H2,(H,22,23)(H,24,25)
InChIKeyDCYWDPIPDLMJBB-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.03
Rot. Bonds6

About 4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120524557) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120524557
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c23-19(22-17-8-6-15(7-9-17)20(24)25)16-10-11-21-18(12-16)26-13-14-4-2-1-3-5-14/h1-5,10-12,15,17H,6-9,13H2,(H,22,23)(H,24,25)
InChIKeyDCYWDPIPDLMJBB-UHFFFAOYSA-N
XLogP3.03
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide
CID 47910567
4-[(6-phenylmethoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122059900
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 122113029
cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678191
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 60566835
N'-(3,4-dimethoxybenzoyl)-2-phenylmethoxypyridine-4-carbohydrazide
CID 55996835
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 56798532
4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809682
2-phenylmethoxy-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 60566988
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 110908784

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120524557) is 4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DCYWDPIPDLMJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(22-17-8-6-15(7-9-17)20(24)25)16-10-11-21-18(12-16)26-13-14-4-2-1-3-5-14/h1-5,10-12,15,17H,6-9,13H2,(H,22,23)(H,24,25).
What are the key properties of 4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120524557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).