2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C14H18N2O4 — CID 105063230

IUPAC2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOc1cnccc1C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-12-8-15-6-5-11(12)13(17)16-7-9-3-2-4-10(9)14(18)19/h5-6,8-10H,2-4,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyGXGBKRUSIFSOBG-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.32
Rot. Bonds5

About 2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 105063230) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID105063230
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOc1cnccc1C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-12-8-15-6-5-11(12)13(17)16-7-9-3-2-4-10(9)14(18)19/h5-6,8-10H,2-4,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyGXGBKRUSIFSOBG-UHFFFAOYSA-N
XLogP1.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809
3-[(3-methoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 105063233
2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113439196
2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115413435
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
3-amino-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107420601
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methoxypyridine-4-carboxamide
CID 105063923
trans-(1S,2R)-2-[[(4,5-dimethoxy-2-nitrobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732295
3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide
CID 105064206
2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79802782
cyclobutyl-(3-methoxy-4-pyridinyl)methanone
CID 105065110

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 105063230) is 2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is COc1cnccc1C(=O)NCC1CCCC1C(=O)O.
What is the InChIKey of 2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is GXGBKRUSIFSOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-12-8-15-6-5-11(12)13(17)16-7-9-3-2-4-10(9)14(18)19/h5-6,8-10H,2-4,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 105063230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).