4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide

C18H20N4O — CID 109217911

IUPAC4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCCCCN(C)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C18H20N4O/c1-3-4-10-22(2)16-8-9-20-17(12-16)18(23)21-15-7-5-6-14(11-15)13-19/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyIZQOQMIOOHLLGB-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.44
Rot. Bonds6

About 4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide

4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide (PubChem CID 109217911) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
PubChem CID109217911
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCCCCN(C)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C18H20N4O/c1-3-4-10-22(2)16-8-9-20-17(12-16)18(23)21-15-7-5-6-14(11-15)13-19/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyIZQOQMIOOHLLGB-UHFFFAOYSA-N
XLogP3.44
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610
4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109212660
4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109217837
6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854397
4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
CID 109217891
4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109217883
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217835
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109222335
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
4-[butyl(methyl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109217852

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide (CID 109217911) is 4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide is CCCCN(C)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is IZQOQMIOOHLLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-4-10-22(2)16-8-9-20-17(12-16)18(23)21-15-7-5-6-14(11-15)13-19/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23).
What are the key properties of 4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide?
4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).