N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide

C19H26N4O — CID 109154394

IUPACN-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(NCCc2ccccc2)nc1
InChIInChI=1S/C19H26N4O/c1-23(2)14-6-12-21-19(24)17-9-10-18(22-15-17)20-13-11-16-7-4-3-5-8-16/h3-5,7-10,15H,6,11-14H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyBKWOBZVBYDMNOS-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.42
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109154394) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
PubChem CID109154394
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(NCCc2ccccc2)nc1
InChIInChI=1S/C19H26N4O/c1-23(2)14-6-12-21-19(24)17-9-10-18(22-15-17)20-13-11-16-7-4-3-5-8-16/h3-5,7-10,15H,6,11-14H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyBKWOBZVBYDMNOS-UHFFFAOYSA-N
XLogP2.42
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109154237
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109154379
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
6-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109152689
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920
6-[2-(dimethylamino)ethylamino]-N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 11976421
N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
N-[(3-methylphenyl)methyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109155882
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
CID 109154445

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide (CID 109154394) is N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide is CN(C)CCCNC(=O)c1ccc(NCCc2ccccc2)nc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is BKWOBZVBYDMNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-23(2)14-6-12-21-19(24)17-9-10-18(22-15-17)20-13-11-16-7-4-3-5-8-16/h3-5,7-10,15H,6,11-14H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109154394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).