2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid

C12H17N3O4 — CID 81077809

IUPAC2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(Nc1cccc(C(N)=O)n1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-19-7-3-5-9(12(17)18)15-10-6-2-4-8(14-10)11(13)16/h2,4,6,9H,3,5,7H2,1H3,(H2,13,16)(H,14,15)(H,17,18)
InChIKeyHABDBEHDRWVBME-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.47
Rot. Bonds8

About 2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid

2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid (PubChem CID 81077809) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid
PubChem CID81077809
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(Nc1cccc(C(N)=O)n1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-19-7-3-5-9(12(17)18)15-10-6-2-4-8(14-10)11(13)16/h2,4,6,9H,3,5,7H2,1H3,(H2,13,16)(H,14,15)(H,17,18)
InChIKeyHABDBEHDRWVBME-UHFFFAOYSA-N
XLogP0.47
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
2-(2-carbamoyl-3-fluoroanilino)-5-methoxypentanoic acid
CID 81078963
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid
CID 114765528
5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid
CID 81077805
6-[(5-methoxy-1-phenylpentyl)amino]pyridine-2-carboxylic acid
CID 122057074
6-[[(2S)-butan-2-yl]amino]pyridine-2-carboxamide
CID 123938192
5-methoxy-2-(pyrazin-2-ylamino)pentanoic acid
CID 81078260
2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid
CID 81078172
2-(1,3-benzothiazol-2-ylamino)-5-methoxypentanoic acid
CID 81078689
5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 81076497
5-methoxy-2-(quinolin-4-ylamino)pentanoic acid
CID 81078422
5-methoxy-2-[4-(trifluoromethyl)anilino]pentanoic acid
CID 81077709

Frequently Asked Questions

What is the IUPAC name of 2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid (CID 81077809) is 2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid is COCCCC(Nc1cccc(C(N)=O)n1)C(=O)O.
What is the InChIKey of 2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid?
The InChIKey is HABDBEHDRWVBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-19-7-3-5-9(12(17)18)15-10-6-2-4-8(14-10)11(13)16/h2,4,6,9H,3,5,7H2,1H3,(H2,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid?
2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid has a molecular weight of 267.29 g/mol, XLogP of 0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81077809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).