4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

C17H20N4O — CID 110862209

IUPAC4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H20N4O/c18-16-8-9-19-12-15(16)17(22)20-13-4-6-14(7-5-13)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H2,18,19)(H,20,22)
InChIKeyGPYKTJWXBJDVQY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.91
Rot. Bonds3

About 4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 110862209) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID110862209
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H20N4O/c18-16-8-9-19-12-15(16)17(22)20-13-4-6-14(7-5-13)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H2,18,19)(H,20,22)
InChIKeyGPYKTJWXBJDVQY-UHFFFAOYSA-N
XLogP2.91
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
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

3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66483334
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
CID 110861759
3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 42393792
2-amino-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 110862205
N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110862156
3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 61110951
4-amino-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81235962
2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 110451835
2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 84575067

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (CID 110862209) is 4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is Nc1ccncc1C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is GPYKTJWXBJDVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-16-8-9-19-12-15(16)17(22)20-13-4-6-14(7-5-13)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H2,18,19)(H,20,22).
What are the key properties of 4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 110862209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).