1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H18N2O3 — CID 63671026

IUPAC1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1cnccc1NC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H18N2O3/c1-10-9-15-7-4-11(10)16-12(17)8-14(13(18)19)5-2-3-6-14/h4,7,9H,2-3,5-6,8H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyLNBCDWMRZAKPFP-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.36
Rot. Bonds4

About 1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 63671026) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID63671026
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1cnccc1NC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H18N2O3/c1-10-9-15-7-4-11(10)16-12(17)8-14(13(18)19)5-2-3-6-14/h4,7,9H,2-3,5-6,8H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyLNBCDWMRZAKPFP-UHFFFAOYSA-N
XLogP2.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide
CID 142640688
1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79041898
1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43579885
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 107587535
1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 56816659
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 103584581
1-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79235812
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 107587527
2-(cyclopentylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63670868
1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 34354093

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 63671026) is 1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is Cc1cnccc1NC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is LNBCDWMRZAKPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-9-15-7-4-11(10)16-12(17)8-14(13(18)19)5-2-3-6-14/h4,7,9H,2-3,5-6,8H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63671026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).