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

C22H28N4O — CID 109218267

IUPAC4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccnc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)C1
InChIInChI=1S/C22H28N4O/c1-17-5-4-14-26(16-17)20-10-11-23-21(15-20)22(27)24-18-6-8-19(9-7-18)25-12-2-3-13-25/h6-11,15,17H,2-5,12-14,16H2,1H3,(H,24,27)
InChIKeyFIMVCYGLUIQPLW-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.17
Rot. Bonds4

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

4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 109218267) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
PubChem CID109218267
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccnc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)C1
InChIInChI=1S/C22H28N4O/c1-17-5-4-14-26(16-17)20-10-11-23-21(15-20)22(27)24-18-6-8-19(9-7-18)25-12-2-3-13-25/h6-11,15,17H,2-5,12-14,16H2,1H3,(H,24,27)
InChIKeyFIMVCYGLUIQPLW-UHFFFAOYSA-N
XLogP4.17
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109218222
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
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109333992
N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218300
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355106
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
N-(4-bromo-2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218277

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (CID 109218267) is 4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is CC1CCCN(c2ccnc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is FIMVCYGLUIQPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-17-5-4-14-26(16-17)20-10-11-23-21(15-20)22(27)24-18-6-8-19(9-7-18)25-12-2-3-13-25/h6-11,15,17H,2-5,12-14,16H2,1H3,(H,24,27).
What are the key properties of 4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109218267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).