2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid

C13H19N3O4 — CID 114765528

IUPAC2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(Nc1cc(C(N)=O)cc(C)n1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-8-6-9(12(14)17)7-11(15-8)16-10(13(18)19)4-3-5-20-2/h6-7,10H,3-5H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyYCCPYEDLOLDNEU-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.78
Rot. Bonds8

About 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid

2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid (PubChem CID 114765528) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid
PubChem CID114765528
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(Nc1cc(C(N)=O)cc(C)n1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-8-6-9(12(14)17)7-11(15-8)16-10(13(18)19)4-3-5-20-2/h6-7,10H,3-5H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyYCCPYEDLOLDNEU-UHFFFAOYSA-N
XLogP0.78
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.78
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

2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid
CID 81077809
3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid
CID 114765268
5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973199
2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid
CID 81078172
5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid
CID 81077805
5-methoxy-2-(pyrazin-2-ylamino)pentanoic acid
CID 81078260
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid
CID 114765592
2-(2-carbamoyl-3-fluoroanilino)-5-methoxypentanoic acid
CID 81078963
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]hexanoic acid
CID 122062714
5-methoxy-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 81078957

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid (CID 114765528) is 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid is COCCCC(Nc1cc(C(N)=O)cc(C)n1)C(=O)O.
What is the InChIKey of 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid?
The InChIKey is YCCPYEDLOLDNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-6-9(12(14)17)7-11(15-8)16-10(13(18)19)4-3-5-20-2/h6-7,10H,3-5H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid?
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 114765528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).