2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid

C15H21N3O3 — CID 114325320

IUPAC2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
SMILESCN(CC1CCCC1)C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C15H21N3O3/c1-18(10-11-4-2-3-5-11)15(21)17-9-13-8-12(14(19)20)6-7-16-13/h6-8,11H,2-5,9-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyBIJXEHNUVIHNQH-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.11
Rot. Bonds5

About 2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid

2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114325320) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
PubChem CID114325320
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
SMILESCN(CC1CCCC1)C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C15H21N3O3/c1-18(10-11-4-2-3-5-11)15(21)17-9-13-8-12(14(19)20)6-7-16-13/h6-8,11H,2-5,9-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyBIJXEHNUVIHNQH-UHFFFAOYSA-N
XLogP2.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325323
2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
CID 114326567
2-[[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325372
2-[[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 106916966
2-[[[2-ethoxyethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325401
2-[(cycloheptylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325102
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325286
2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325192
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324803
3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112531945

Frequently Asked Questions

What is the IUPAC name of 2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid (CID 114325320) is 2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid is CN(CC1CCCC1)C(=O)NCc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is BIJXEHNUVIHNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(10-11-4-2-3-5-11)15(21)17-9-13-8-12(14(19)20)6-7-16-13/h6-8,11H,2-5,9-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid?
2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114325320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).