N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide

C23H26N4O — CID 112830639

IUPACN-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(C)CC(NC(=O)c1ccc(N(C)c2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C23H26N4O/c1-26(2)17-21(18-10-6-4-7-11-18)25-23(28)19-14-15-22(24-16-19)27(3)20-12-8-5-9-13-20/h4-16,21H,17H2,1-3H3,(H,25,28)
InChIKeyUBZDZDSFFGQUIJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.88
Rot. Bonds7

About N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide

N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 112830639) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide
PubChem CID112830639
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(C)CC(NC(=O)c1ccc(N(C)c2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C23H26N4O/c1-26(2)17-21(18-10-6-4-7-11-18)25-23(28)19-14-15-22(24-16-19)27(3)20-12-8-5-9-13-20/h4-16,21H,17H2,1-3H3,(H,25,28)
InChIKeyUBZDZDSFFGQUIJ-UHFFFAOYSA-N
XLogP3.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide
CID 66462748
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692
methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate
CID 112830437
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
3-methyl-4-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120537159
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-phenylmethoxybenzamide
CID 8937208
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 8936655

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide (CID 112830639) is N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide is CN(C)CC(NC(=O)c1ccc(N(C)c2ccccc2)nc1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is UBZDZDSFFGQUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-26(2)17-21(18-10-6-4-7-11-18)25-23(28)19-14-15-22(24-16-19)27(3)20-12-8-5-9-13-20/h4-16,21H,17H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide?
N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 112830639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).