2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid

C15H23N3O3 — CID 115430029

IUPAC2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNc1ccc(C(=O)N(C)C)cn1)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-5-15(6-2,14(20)21)10-17-12-8-7-11(9-16-12)13(19)18(3)4/h7-9H,5-6,10H2,1-4H3,(H,16,17)(H,20,21)
InChIKeyFAWVZECXDJJNCG-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.09
Rot. Bonds7

About 2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid

2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid (PubChem CID 115430029) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid
PubChem CID115430029
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNc1ccc(C(=O)N(C)C)cn1)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-5-15(6-2,14(20)21)10-17-12-8-7-11(9-16-12)13(19)18(3)4/h7-9H,5-6,10H2,1-4H3,(H,16,17)(H,20,21)
InChIKeyFAWVZECXDJJNCG-UHFFFAOYSA-N
XLogP2.09
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78958778
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 103844430
6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 111435885
2-[[(5-cyano-2-pyridinyl)amino]methyl]-2-ethylbutanoic acid
CID 113308560
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
6-[(1-ethylcyclopropyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103736737
N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
CID 78956363
6-(2,2-dimethylhydrazinyl)-N,N-dimethylpyridine-3-carboxamide
CID 83025620
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
CID 115903909
6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113
N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide
CID 115486588

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid (CID 115430029) is 2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNc1ccc(C(=O)N(C)C)cn1)C(=O)O.
What is the InChIKey of 2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid?
The InChIKey is FAWVZECXDJJNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-15(6-2,14(20)21)10-17-12-8-7-11(9-16-12)13(19)18(3)4/h7-9H,5-6,10H2,1-4H3,(H,16,17)(H,20,21).
What are the key properties of 2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid?
2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115430029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).