N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide

C15H14N4O — CID 62302226

IUPACN-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc(CC#N)cc2)cn1
InChIInChI=1S/C15H14N4O/c1-17-14-7-4-12(10-18-14)15(20)19-13-5-2-11(3-6-13)8-9-16/h2-7,10H,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyLLQCYSBBWBVJPQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.44
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide

N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide (PubChem CID 62302226) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide
PubChem CID62302226
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc(CC#N)cc2)cn1
InChIInChI=1S/C15H14N4O/c1-17-14-7-4-12(10-18-14)15(20)19-13-5-2-11(3-6-13)8-9-16/h2-7,10H,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyLLQCYSBBWBVJPQ-UHFFFAOYSA-N
XLogP2.44
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide
CID 62302246
N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide
CID 126986999
N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 33427699
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696
N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60787828
6-(ethylamino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 62166937
N-[4-(cyanomethyl)phenyl]-3,4-dihydroxybenzamide
CID 103955439
N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104641096
N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 78950821
6-(ethylamino)-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 62181500
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 65435448

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide (CID 62302226) is N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide is CNc1ccc(C(=O)Nc2ccc(CC#N)cc2)cn1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is LLQCYSBBWBVJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-17-14-7-4-12(10-18-14)15(20)19-13-5-2-11(3-6-13)8-9-16/h2-7,10H,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide?
N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62302226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).