2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid

C14H19N3O3 — CID 114324803

IUPAC2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESNC1CCCC(C(=O)NCc2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C14H19N3O3/c15-11-3-1-2-9(6-11)13(18)17-8-12-7-10(14(19)20)4-5-16-12/h4-5,7,9,11H,1-3,6,8,15H2,(H,17,18)(H,19,20)
InChIKeyZAVKBVKIFULPAT-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.91
Rot. Bonds4

About 2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324803) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324803
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESNC1CCCC(C(=O)NCc2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C14H19N3O3/c15-11-3-1-2-9(6-11)13(18)17-8-12-7-10(14(19)20)4-5-16-12/h4-5,7,9,11H,1-3,6,8,15H2,(H,17,18)(H,19,20)
InChIKeyZAVKBVKIFULPAT-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

2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 83193579
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
2-[(cycloheptylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325102
2-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]pyridine-4-carboxylic acid
CID 115560835
2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325320
cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 74246620
3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846913
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
CID 142586783
2-[(thiolan-3-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 103064162

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid (CID 114324803) is 2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid is NC1CCCC(C(=O)NCc2cc(C(=O)O)ccn2)C1.
What is the InChIKey of 2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is ZAVKBVKIFULPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-11-3-1-2-9(6-11)13(18)17-8-12-7-10(14(19)20)4-5-16-12/h4-5,7,9,11H,1-3,6,8,15H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-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-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).