3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid

C14H19N3O2 — CID 81065386

IUPAC3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid
SMILESCCC(CNc1nc(C)cc(C)c1C#N)CC(=O)O
InChIInChI=1S/C14H19N3O2/c1-4-11(6-13(18)19)8-16-14-12(7-15)9(2)5-10(3)17-14/h5,11H,4,6,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVCMBYNOGVYNXPB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.48
Rot. Bonds6

About 3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid

3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid (PubChem CID 81065386) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid
PubChem CID81065386
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid
SMILESCCC(CNc1nc(C)cc(C)c1C#N)CC(=O)O
InChIInChI=1S/C14H19N3O2/c1-4-11(6-13(18)19)8-16-14-12(7-15)9(2)5-10(3)17-14/h5,11H,4,6,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVCMBYNOGVYNXPB-UHFFFAOYSA-N
XLogP2.48
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid with MolForge

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Related Compounds

3-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108432
2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 66177763
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
CID 102906163
4,6-dimethyl-2-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 78966758
3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid
CID 81065330
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide
CID 60658746
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide
CID 78911718
3-[(3-chloro-2-cyanoanilino)methyl]pentanoic acid
CID 81066486
1-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311074
4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616324
4,6-dimethyl-2-[[(2S)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616325
2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 124670806

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid (CID 81065386) is 3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid is CCC(CNc1nc(C)cc(C)c1C#N)CC(=O)O.
What is the InChIKey of 3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid?
The InChIKey is VCMBYNOGVYNXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-11(6-13(18)19)8-16-14-12(7-15)9(2)5-10(3)17-14/h5,11H,4,6,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid?
3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81065386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).