1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid

C13H17N3O3 — CID 113309120

IUPAC1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cccnc1NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H17N3O3/c14-10(17)9-4-3-7-15-11(9)16-8-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyUWPQVVFXAUAYDP-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.24
Rot. Bonds5

About 1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309120) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID113309120
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cccnc1NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H17N3O3/c14-10(17)9-4-3-7-15-11(9)16-8-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyUWPQVVFXAUAYDP-UHFFFAOYSA-N
XLogP1.24
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide
CID 55082636
2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide
CID 113253039
1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443595
1-[[(2-cyano-3-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436141
N-methyl-2-[(1-methylcyclopentyl)methylamino]pyridine-3-carboxamide
CID 133321099
1-[(2-carbamoyl-5-methylanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433325
1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433360
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate
CID 103967298
2-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-3-carbothioamide
CID 114116385
2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81313236
ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-3-carboxylate
CID 83112699
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 113309120) is 1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid is NC(=O)c1cccnc1NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is UWPQVVFXAUAYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-10(17)9-4-3-7-15-11(9)16-8-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H2,14,17)(H,15,16)(H,18,19).
What are the key properties of 1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).