2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

C13H17N3O3 — CID 64817622

IUPAC2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(N)=O)c(NC2CCCC2C(=O)O)n1
InChIInChI=1S/C13H17N3O3/c1-7-5-6-9(11(14)17)12(15-7)16-10-4-2-3-8(10)13(18)19/h5-6,8,10H,2-4H2,1H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeySWZCRRKJUJKXMH-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.15
Rot. Bonds4

About 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64817622) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64817622
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(N)=O)c(NC2CCCC2C(=O)O)n1
InChIInChI=1S/C13H17N3O3/c1-7-5-6-9(11(14)17)12(15-7)16-10-4-2-3-8(10)13(18)19/h5-6,8,10H,2-4H2,1H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeySWZCRRKJUJKXMH-UHFFFAOYSA-N
XLogP1.15
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 64817622) is 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is Cc1ccc(C(N)=O)c(NC2CCCC2C(=O)O)n1.
What is the InChIKey of 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is SWZCRRKJUJKXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7-5-6-9(11(14)17)12(15-7)16-10-4-2-3-8(10)13(18)19/h5-6,8,10H,2-4H2,1H3,(H2,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).