2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

C18H22N4O — CID 84575067

IUPAC2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H22N4O/c1-19-17-16(6-5-11-20-17)18(23)21-14-7-9-15(10-8-14)22-12-3-2-4-13-22/h5-11H,2-4,12-13H2,1H3,(H,19,20)(H,21,23)
InChIKeyLZOKWVJLGBAJTN-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.37
Rot. Bonds4

About 2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 84575067) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID84575067
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H22N4O/c1-19-17-16(6-5-11-20-17)18(23)21-14-7-9-15(10-8-14)22-12-3-2-4-13-22/h5-11H,2-4,12-13H2,1H3,(H,19,20)(H,21,23)
InChIKeyLZOKWVJLGBAJTN-UHFFFAOYSA-N
XLogP3.37
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.37
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

2-(dimethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110299290
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 62490450
[4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite
CID 142179435
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
CID 110701458
2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 107518403
N-(3,4-dimethylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173357
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 55138096

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (CID 84575067) is 2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is CNc1ncccc1C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is LZOKWVJLGBAJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-19-17-16(6-5-11-20-17)18(23)21-14-7-9-15(10-8-14)22-12-3-2-4-13-22/h5-11H,2-4,12-13H2,1H3,(H,19,20)(H,21,23).
What are the key properties of 2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 84575067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).