2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid

C16H25N3O2 — CID 114504534

IUPAC2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(NC2CCN(C)CC2C)n1
InChIInChI=1S/C16H25N3O2/c1-10(2)14-7-12(16(20)21)8-15(18-14)17-13-5-6-19(4)9-11(13)3/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,17,18)(H,20,21)
InChIKeyOEYSNHYEOWEZDH-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.66
Rot. Bonds4

About 2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid

2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 114504534) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
PubChem CID114504534
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(NC2CCN(C)CC2C)n1
InChIInChI=1S/C16H25N3O2/c1-10(2)14-7-12(16(20)21)8-15(18-14)17-13-5-6-19(4)9-11(13)3/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,17,18)(H,20,21)
InChIKeyOEYSNHYEOWEZDH-UHFFFAOYSA-N
XLogP2.66
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380308
4-N-(1,3-dimethylpiperidin-4-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 114506573
2-cyclopropyl-N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinylpyrimidin-4-amine
CID 114506697
2-chloro-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 54949787
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114505989
2-N-(1,3-dimethylpiperidin-4-yl)pyridine-2,5-diamine
CID 114502996
methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate
CID 114504550
2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380101
(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine
CID 15541148
4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136958128
2-N-(1,3-dimethylpiperidin-4-yl)-6-methylpyridine-2,5-diamine
CID 114503076
3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 114506019

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid (CID 114504534) is 2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid is CC(C)c1cc(C(=O)O)cc(NC2CCN(C)CC2C)n1.
What is the InChIKey of 2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is OEYSNHYEOWEZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10(2)14-7-12(16(20)21)8-15(18-14)17-13-5-6-19(4)9-11(13)3/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,17,18)(H,20,21).
What are the key properties of 2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 291.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 114504534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).