N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide

C15H13N3O2 — CID 82122992

IUPACN-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C#N)c2ccccn2)c1
InChIInChI=1S/C15H13N3O2/c1-20-12-6-4-5-11(9-12)15(19)18-14(10-16)13-7-2-3-8-17-13/h2-9,14H,1H3,(H,18,19)
InChIKeyOCVHXRLUWONUHB-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.08
Rot. Bonds4

About N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide

N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide (PubChem CID 82122992) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide
PubChem CID82122992
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C#N)c2ccccn2)c1
InChIInChI=1S/C15H13N3O2/c1-20-12-6-4-5-11(9-12)15(19)18-14(10-16)13-7-2-3-8-17-13/h2-9,14H,1H3,(H,18,19)
InChIKeyOCVHXRLUWONUHB-UHFFFAOYSA-N
XLogP2.08
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide
CID 82120265
N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 9246130
N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide
CID 82113909
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
N-[cyano(pyridin-2-yl)methyl]-3-methylbutanamide
CID 82113908
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate
CID 139080745
3-methoxy-N-(5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 167856541
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
(2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile
CID 40647060
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468

Frequently Asked Questions

What is the IUPAC name of N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide (CID 82122992) is N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NC(C#N)c2ccccn2)c1.
What is the InChIKey of N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide?
The InChIKey is OCVHXRLUWONUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-12-6-4-5-11(9-12)15(19)18-14(10-16)13-7-2-3-8-17-13/h2-9,14H,1H3,(H,18,19).
What are the key properties of N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide?
N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide has a molecular weight of 267.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 82122992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).