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

C14H19N3O3 — CID 114326665

IUPAC2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESNCc1cc(C(=O)NC2CCCCC2C(=O)O)ccn1
InChIInChI=1S/C14H19N3O3/c15-8-10-7-9(5-6-16-10)13(18)17-12-4-2-1-3-11(12)14(19)20/h5-7,11-12H,1-4,8,15H2,(H,17,18)(H,19,20)
InChIKeyZTQWEGBZXUENIM-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.91
Rot. Bonds4

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

2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 114326665) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID114326665
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESNCc1cc(C(=O)NC2CCCCC2C(=O)O)ccn1
InChIInChI=1S/C14H19N3O3/c15-8-10-7-9(5-6-16-10)13(18)17-12-4-2-1-3-11(12)14(19)20/h5-7,11-12H,1-4,8,15H2,(H,17,18)(H,19,20)
InChIKeyZTQWEGBZXUENIM-UHFFFAOYSA-N
XLogP0.91
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid
CID 114326740
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 104844483
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
CID 114325785
N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114325830
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 114326766
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906
2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 114326439
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide
CID 113277885

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 114326665) is 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid is NCc1cc(C(=O)NC2CCCCC2C(=O)O)ccn1.
What is the InChIKey of 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZTQWEGBZXUENIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-8-10-7-9(5-6-16-10)13(18)17-12-4-2-1-3-11(12)14(19)20/h5-7,11-12H,1-4,8,15H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114326665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).