4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide

C26H30N4O — CID 118057638

IUPAC4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(-c3cccc(C)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C26H30N4O/c1-17-5-4-6-20(12-17)23-15-28-16-24(25(23)30-9-7-21(27)8-10-30)26(31)29-22-13-18(2)11-19(3)14-22/h4-6,11-16,21H,7-10,27H2,1-3H3,(H,29,31)
InChIKeyVWTZRHGZGIHYJW-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.85
Rot. Bonds4

About 4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide

4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 118057638) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID118057638
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(-c3cccc(C)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C26H30N4O/c1-17-5-4-6-20(12-17)23-15-28-16-24(25(23)30-9-7-21(27)8-10-30)26(31)29-22-13-18(2)11-19(3)14-22/h4-6,11-16,21H,7-10,27H2,1-3H3,(H,29,31)
InChIKeyVWTZRHGZGIHYJW-UHFFFAOYSA-N
XLogP4.85
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-N-(4,6-dimethyl-2-pyridinyl)pyridine-3-carboxamide
CID 118057845
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 118057618
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide
CID 118057726
1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164623072
methyl N-[5-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4-chloro-3-pyridinyl]carbamate
CID 155295544
1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057706
[1-[3-(3,5-dimethylphenyl)-5-iodo-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 118057729
1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057586
1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
CID 72943279
N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3-methylphenyl)benzamide
CID 20773857
[3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone
CID 134255290
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide (CID 118057638) is 4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cncc(-c3cccc(C)c3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is VWTZRHGZGIHYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-17-5-4-6-20(12-17)23-15-28-16-24(25(23)30-9-7-21(27)8-10-30)26(31)29-22-13-18(2)11-19(3)14-22/h4-6,11-16,21H,7-10,27H2,1-3H3,(H,29,31).
What are the key properties of 4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide?
4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 118057638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).