4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid

C16H23N3O2 — CID 114765429

IUPAC4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid
SMILESCCCC(CCNc1cc(C#N)cc(C)n1)CCC(=O)O
InChIInChI=1S/C16H23N3O2/c1-3-4-13(5-6-16(20)21)7-8-18-15-10-14(11-17)9-12(2)19-15/h9-10,13H,3-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJOBXVYNOTKIDEY-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.34
Rot. Bonds9

About 4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid

4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid (PubChem CID 114765429) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid
PubChem CID114765429
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid
SMILESCCCC(CCNc1cc(C#N)cc(C)n1)CCC(=O)O
InChIInChI=1S/C16H23N3O2/c1-3-4-13(5-6-16(20)21)7-8-18-15-10-14(11-17)9-12(2)19-15/h9-10,13H,3-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJOBXVYNOTKIDEY-UHFFFAOYSA-N
XLogP3.34
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
6-(4-cyano-2,6-difluoroanilino)-4-ethylhexanoic acid
CID 81285260
3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide
CID 114766134
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
CID 114765934
4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
CID 114765908
2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate
CID 114766558
1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid
CID 114765459
6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid
CID 114765426
2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
CID 103461768
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338610

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid?
The IUPAC name of 4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid (CID 114765429) is 4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid?
The canonical SMILES for 4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid is CCCC(CCNc1cc(C#N)cc(C)n1)CCC(=O)O.
What is the InChIKey of 4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid?
The InChIKey is JOBXVYNOTKIDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-4-13(5-6-16(20)21)7-8-18-15-10-14(11-17)9-12(2)19-15/h9-10,13H,3-8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid?
4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid has a molecular weight of 289.38 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid is sourced from PubChem (CID 114765429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).