4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide

C21H27N3O — CID 109218222

IUPAC4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccnc(C(=O)Nc3ccc(C(C)C)cc3)c2)C1
InChIInChI=1S/C21H27N3O/c1-15(2)17-6-8-18(9-7-17)23-21(25)20-13-19(10-11-22-20)24-12-4-5-16(3)14-24/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,23,25)
InChIKeyHNEKQDNAUGMIST-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.69
Rot. Bonds4

About 4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide

4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 109218222) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID109218222
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccnc(C(=O)Nc3ccc(C(C)C)cc3)c2)C1
InChIInChI=1S/C21H27N3O/c1-15(2)17-6-8-18(9-7-17)23-21(25)20-13-19(10-11-22-20)24-12-4-5-16(3)14-24/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,23,25)
InChIKeyHNEKQDNAUGMIST-UHFFFAOYSA-N
XLogP4.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218235
N-(4-bromo-3-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218278
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210674
N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218300
N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807
N-(4-bromo-2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218277
N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218225
N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109215433
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
2-chloro-4-(3-methylpiperidin-1-yl)pyridine
CID 103721685

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide (CID 109218222) is 4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide is CC1CCCN(c2ccnc(C(=O)Nc3ccc(C(C)C)cc3)c2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is HNEKQDNAUGMIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15(2)17-6-8-18(9-7-17)23-21(25)20-13-19(10-11-22-20)24-12-4-5-16(3)14-24/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,23,25).
What are the key properties of 4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109218222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).