2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid

C14H17N3O4 — CID 122055726

IUPAC2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid
SMILESNC(=O)C1(CNC(=O)c2cc(C(=O)O)ccn2)CCCC1
InChIInChI=1S/C14H17N3O4/c15-13(21)14(4-1-2-5-14)8-17-11(18)10-7-9(12(19)20)3-6-16-10/h3,6-7H,1-2,4-5,8H2,(H2,15,21)(H,17,18)(H,19,20)
InChIKeyDWJQUHONVXPLAQ-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.56
Rot. Bonds5

About 2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid

2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055726) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid
PubChem CID122055726
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid
SMILESNC(=O)C1(CNC(=O)c2cc(C(=O)O)ccn2)CCCC1
InChIInChI=1S/C14H17N3O4/c15-13(21)14(4-1-2-5-14)8-17-11(18)10-7-9(12(19)20)3-6-16-10/h3,6-7H,1-2,4-5,8H2,(H2,15,21)(H,17,18)(H,19,20)
InChIKeyDWJQUHONVXPLAQ-UHFFFAOYSA-N
XLogP0.56
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122056076
1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433612
1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 114037106
2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid
CID 129470229
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid
CID 119185603
4-[3-[(1-carbamoylcyclopentyl)methylamino]-3-oxopropyl]benzoic acid
CID 119185599
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056426
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114326678
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid (CID 122055726) is 2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid is NC(=O)C1(CNC(=O)c2cc(C(=O)O)ccn2)CCCC1.
What is the InChIKey of 2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid?
The InChIKey is DWJQUHONVXPLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-13(21)14(4-1-2-5-14)8-17-11(18)10-7-9(12(19)20)3-6-16-10/h3,6-7H,1-2,4-5,8H2,(H2,15,21)(H,17,18)(H,19,20).
What are the key properties of 2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid?
2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).