6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide

C17H18N4O — CID 133381589

IUPAC6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N(C)CCC#N)nc2)cc1
InChIInChI=1S/C17H18N4O/c1-13-4-7-15(8-5-13)20-17(22)14-6-9-16(19-12-14)21(2)11-3-10-18/h4-9,12H,3,11H2,1-2H3,(H,20,22)
InChIKeyKSFGWUZXXWXXKB-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.99
Rot. Bonds5

About 6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide

6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 133381589) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID133381589
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N(C)CCC#N)nc2)cc1
InChIInChI=1S/C17H18N4O/c1-13-4-7-15(8-5-13)20-17(22)14-6-9-16(19-12-14)21(2)11-3-10-18/h4-9,12H,3,11H2,1-2H3,(H,20,22)
InChIKeyKSFGWUZXXWXXKB-UHFFFAOYSA-N
XLogP2.99
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 175301660
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159164
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109159423
6-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109156325
6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109156294
methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate
CID 48650816
N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113015372
6-(dipropylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109161818
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
6-(dipropylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109161795
N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256337
N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide
CID 62302226

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide (CID 133381589) is 6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(N(C)CCC#N)nc2)cc1.
What is the InChIKey of 6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is KSFGWUZXXWXXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13-4-7-15(8-5-13)20-17(22)14-6-9-16(19-12-14)21(2)11-3-10-18/h4-9,12H,3,11H2,1-2H3,(H,20,22).
What are the key properties of 6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 133381589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).