2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid

C14H19N3O3 — CID 114548800

IUPAC2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
SMILESCC1CCC(NC(=O)NCc2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C14H19N3O3/c1-9-2-3-11(6-9)17-14(20)16-8-12-7-10(13(18)19)4-5-15-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyLKPGZGWSMMPMLT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.77
Rot. Bonds4

About 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid

2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid (PubChem CID 114548800) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
PubChem CID114548800
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
SMILESCC1CCC(NC(=O)NCc2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C14H19N3O3/c1-9-2-3-11(6-9)17-14(20)16-8-12-7-10(13(18)19)4-5-15-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyLKPGZGWSMMPMLT-UHFFFAOYSA-N
XLogP1.77
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
CID 104966797
2-[(cycloheptylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325102
2-[(thiolan-3-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 103064162
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325286
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
2-[[(3-methylthiomorpholine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325338
2-[(pentan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277665
2-[(butan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277661
2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325267
2-[(pyridin-4-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325097

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid (CID 114548800) is 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid is CC1CCC(NC(=O)NCc2cc(C(=O)O)ccn2)C1.
What is the InChIKey of 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid?
The InChIKey is LKPGZGWSMMPMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-2-3-11(6-9)17-14(20)16-8-12-7-10(13(18)19)4-5-15-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid?
2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114548800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).