N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

C23H25N5O — CID 109191130

IUPACN-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C23H25N5O/c29-23(27-18-7-10-21(11-8-18)28-14-4-1-5-15-28)22-12-9-20(17-26-22)25-16-19-6-2-3-13-24-19/h2-3,6-13,17,25H,1,4-5,14-16H2,(H,27,29)
InChIKeyFXFUYGZEZAAKJO-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.33
Rot. Bonds6

About N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191130) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191130
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C23H25N5O/c29-23(27-18-7-10-21(11-8-18)28-14-4-1-5-15-28)22-12-9-20(17-26-22)25-16-19-6-2-3-13-24-19/h2-3,6-13,17,25H,1,4-5,14-16H2,(H,27,29)
InChIKeyFXFUYGZEZAAKJO-UHFFFAOYSA-N
XLogP4.33
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760
4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109212916
2-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109306986
piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone
CID 109182557
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109182931
2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108963447
N-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191075
N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191121
5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892
N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191093
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 109191130) is N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NCc2ccccn2)cn1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is FXFUYGZEZAAKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c29-23(27-18-7-10-21(11-8-18)28-14-4-1-5-15-28)22-12-9-20(17-26-22)25-16-19-6-2-3-13-24-19/h2-3,6-13,17,25H,1,4-5,14-16H2,(H,27,29).
What are the key properties of N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).