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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Related Compounds

2,6-Dimethylpyridine-3-carboxamide
CID 2824850
3-Methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 49790692
1-[2-Methyl-6-(trifluoromethyl)pyridine-3-carbonyl]azepane-4-carboxylic acid
CID 49795731
4-Amino-2,6-dimethylnicotinic acid
CID 3665362
2,6-Dimethylpyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 176202984
2,6-Dimethyl-4-(morpholin-4-yl)pyridine-3-carboxamide
CID 15501239
4-Benzylamino-2,6-dimethylnicotinic acid amide
CID 15501240
3-[2-Methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 75417944
2,6-Dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 81053607
2-[(3-Carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 81059866
2-[(3-Carbamoyl-2,6-dimethyl-4-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81060066
2-Methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 91644992

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).