N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide

C15H13N3O2 — CID 63859996

IUPACN-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cncc(O)c1
InChIInChI=1S/C15H13N3O2/c1-18(10-12-4-2-3-11(5-12)7-16)15(20)13-6-14(19)9-17-8-13/h2-6,8-9,19H,10H2,1H3
InChIKeyJMJHRFQYLMGXTF-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.93
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide

N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide (PubChem CID 63859996) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
PubChem CID63859996
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cncc(O)c1
InChIInChI=1S/C15H13N3O2/c1-18(10-12-4-2-3-11(5-12)7-16)15(20)13-6-14(19)9-17-8-13/h2-6,8-9,19H,10H2,1H3
InChIKeyJMJHRFQYLMGXTF-UHFFFAOYSA-N
XLogP1.93
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63849991
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981
5-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 63865818
N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103863635
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81238313
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316278
5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 47039361

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide (CID 63859996) is N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide is CN(Cc1cccc(C#N)c1)C(=O)c1cncc(O)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide?
The InChIKey is JMJHRFQYLMGXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18(10-12-4-2-3-11(5-12)7-16)15(20)13-6-14(19)9-17-8-13/h2-6,8-9,19H,10H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide?
N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 63859996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).