N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

C22H26N4O2 — CID 109080459

IUPACN-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C22H26N4O2/c27-21(20-16-17(10-11-23-20)22(28)26-14-4-5-15-26)24-18-6-8-19(9-7-18)25-12-2-1-3-13-25/h6-11,16H,1-5,12-15H2,(H,24,27)
InChIKeyIGPPELXFGQDXIW-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.56
Rot. Bonds4

About N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109080459) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109080459
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C22H26N4O2/c27-21(20-16-17(10-11-23-20)22(28)26-14-4-5-15-26)24-18-6-8-19(9-7-18)25-12-2-1-3-13-25/h6-11,16H,1-5,12-15H2,(H,24,27)
InChIKeyIGPPELXFGQDXIW-UHFFFAOYSA-N
XLogP3.56
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.56
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

N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109090699
methyl 4-[[4-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109090698
3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052099
4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088853
2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
CID 109166180
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109205031

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 109080459) is N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(C(=O)N2CCCC2)ccn1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is IGPPELXFGQDXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21(20-16-17(10-11-23-20)22(28)26-14-4-5-15-26)24-18-6-8-19(9-7-18)25-12-2-1-3-13-25/h6-11,16H,1-5,12-15H2,(H,24,27).
What are the key properties of N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109080459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).