2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid

C11H15N3O3 — CID 43631313

IUPAC2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid
SMILESCCCC(Nc1cc(C(N)=O)ccn1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-2-3-8(11(16)17)14-9-6-7(10(12)15)4-5-13-9/h4-6,8H,2-3H2,1H3,(H2,12,15)(H,13,14)(H,16,17)
InChIKeyOEAMENLWIJRNRE-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.85
Rot. Bonds6

About 2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid

2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid (PubChem CID 43631313) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid
PubChem CID43631313
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid
SMILESCCCC(Nc1cc(C(N)=O)ccn1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-2-3-8(11(16)17)14-9-6-7(10(12)15)4-5-13-9/h4-6,8H,2-3H2,1H3,(H2,12,15)(H,13,14)(H,16,17)
InChIKeyOEAMENLWIJRNRE-UHFFFAOYSA-N
XLogP0.85
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]hexanoic acid
CID 122062714
2-(methylamino)pyridine-4-carboxamide
CID 45084294
2-[(6-methylpyridazin-3-yl)amino]pentanoic acid
CID 114989428
2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
CID 63886576
2-(2-hydroxypropylamino)pyridine-4-carboxamide
CID 130671464
(2S)-2-anilinopentanoic acid
CID 22847649
2-[(4-cyano-2-pyridinyl)amino]butanoic acid
CID 43470148
2-[(6-methoxycarbonylpyridazin-3-yl)amino]pentanoic acid
CID 60790857
2-nonoxypyridine-4-carboxamide
CID 24860246
2-[(2-phenylpyrimidin-4-yl)amino]hexanoic acid
CID 122060341
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid?
The IUPAC name of 2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid (CID 43631313) is 2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid is CCCC(Nc1cc(C(N)=O)ccn1)C(=O)O.
What is the InChIKey of 2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid?
The InChIKey is OEAMENLWIJRNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-3-8(11(16)17)14-9-6-7(10(12)15)4-5-13-9/h4-6,8H,2-3H2,1H3,(H2,12,15)(H,13,14)(H,16,17).
What are the key properties of 2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid?
2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid is sourced from PubChem (CID 43631313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).