4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid

C13H19N3O3 — CID 81050644

IUPAC4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid
SMILESCc1cc(N(C)CCCC(=O)O)c(C(N)=O)c(C)n1
InChIInChI=1S/C13H19N3O3/c1-8-7-10(12(13(14)19)9(2)15-8)16(3)6-4-5-11(17)18/h7H,4-6H2,1-3H3,(H2,14,19)(H,17,18)
InChIKeyMQNGNOZQSDLYPB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.10
Rot. Bonds6

About 4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid

4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid (PubChem CID 81050644) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid
PubChem CID81050644
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid
SMILESCc1cc(N(C)CCCC(=O)O)c(C(N)=O)c(C)n1
InChIInChI=1S/C13H19N3O3/c1-8-7-10(12(13(14)19)9(2)15-8)16(3)6-4-5-11(17)18/h7H,4-6H2,1-3H3,(H2,14,19)(H,17,18)
InChIKeyMQNGNOZQSDLYPB-UHFFFAOYSA-N
XLogP1.10
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid (CID 81050644) is 4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid is Cc1cc(N(C)CCCC(=O)O)c(C(N)=O)c(C)n1.
What is the InChIKey of 4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid?
The InChIKey is MQNGNOZQSDLYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-7-10(12(13(14)19)9(2)15-8)16(3)6-4-5-11(17)18/h7H,4-6H2,1-3H3,(H2,14,19)(H,17,18).
What are the key properties of 4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid?
4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid is sourced from PubChem (CID 81050644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).