1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid

C14H19N3O3 — CID 115433612

IUPAC1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESNCc1cc(C(=O)NCC2(C(=O)O)CCCC2)ccn1
InChIInChI=1S/C14H19N3O3/c15-8-11-7-10(3-6-16-11)12(18)17-9-14(13(19)20)4-1-2-5-14/h3,6-7H,1-2,4-5,8-9,15H2,(H,17,18)(H,19,20)
InChIKeyFLDARLTZQDXEFX-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.92
Rot. Bonds5

About 1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433612) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433612
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESNCc1cc(C(=O)NCC2(C(=O)O)CCCC2)ccn1
InChIInChI=1S/C14H19N3O3/c15-8-11-7-10(3-6-16-11)12(18)17-9-14(13(19)20)4-1-2-5-14/h3,6-7H,1-2,4-5,8-9,15H2,(H,17,18)(H,19,20)
InChIKeyFLDARLTZQDXEFX-UHFFFAOYSA-N
XLogP0.92
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 114037106
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114326678
2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide
CID 104844550
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
1-[[(3,4-dihydroxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107728192
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
1-[[(3-fluoro-4-methylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81368916
2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055726
1-[(2H-benzotriazole-5-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362421
1-[[(6-chloropyridine-3-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443369
1-[[(3-amino-4-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445882

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 115433612) is 1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid is NCc1cc(C(=O)NCC2(C(=O)O)CCCC2)ccn1.
What is the InChIKey of 1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is FLDARLTZQDXEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-8-11-7-10(3-6-16-11)12(18)17-9-14(13(19)20)4-1-2-5-14/h3,6-7H,1-2,4-5,8-9,15H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).