5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide

C19H26N4O — CID 109186106

IUPAC5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)NCCc2ccccc2)nc1
InChIInChI=1S/C19H26N4O/c1-23(2)14-6-12-20-17-9-10-18(22-15-17)19(24)21-13-11-16-7-4-3-5-8-16/h3-5,7-10,15,20H,6,11-14H2,1-2H3,(H,21,24)
InChIKeyBOOHRFBTGYHJLC-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.42
Rot. Bonds9

About 5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide

5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109186106) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109186106
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)NCCc2ccccc2)nc1
InChIInChI=1S/C19H26N4O/c1-23(2)14-6-12-20-17-9-10-18(22-15-17)19(24)21-13-11-16-7-4-3-5-8-16/h3-5,7-10,15,20H,6,11-14H2,1-2H3,(H,21,24)
InChIKeyBOOHRFBTGYHJLC-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

N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
N-benzyl-N-methyl-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109189121
N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191597
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
5-[3-(dimethylamino)propylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109186113

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109186106) is 5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide is CN(C)CCCNc1ccc(C(=O)NCCc2ccccc2)nc1.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is BOOHRFBTGYHJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-23(2)14-6-12-20-17-9-10-18(22-15-17)19(24)21-13-11-16-7-4-3-5-8-16/h3-5,7-10,15,20H,6,11-14H2,1-2H3,(H,21,24).
What are the key properties of 5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide?
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-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 5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109186106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).