3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide

C18H15N5O — CID 119105290

IUPAC3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCn1cc(-c2ccc(CNC(=O)c3cccc(C#N)c3)cn2)cn1
InChIInChI=1S/C18H15N5O/c1-23-12-16(11-22-23)17-6-5-14(9-20-17)10-21-18(24)15-4-2-3-13(7-15)8-19/h2-7,9,11-12H,10H2,1H3,(H,21,24)
InChIKeyJZEHCYGMCUILGE-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.28
Rot. Bonds4

About 3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide

3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 119105290) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
PubChem CID119105290
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCn1cc(-c2ccc(CNC(=O)c3cccc(C#N)c3)cn2)cn1
InChIInChI=1S/C18H15N5O/c1-23-12-16(11-22-23)17-6-5-14(9-20-17)10-21-18(24)15-4-2-3-13(7-15)8-19/h2-7,9,11-12H,10H2,1H3,(H,21,24)
InChIKeyJZEHCYGMCUILGE-UHFFFAOYSA-N
XLogP2.28
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-methylsulfanylbenzamide
CID 121022535
3-cyano-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275220
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
CID 121022509
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 119105294
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
CID 122274470
1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122274541
N-[(4-cyanophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 47161871
3-cyano-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168275
3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide
CID 122274377
4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61343888

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (CID 119105290) is 3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is Cn1cc(-c2ccc(CNC(=O)c3cccc(C#N)c3)cn2)cn1.
What is the InChIKey of 3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is JZEHCYGMCUILGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-23-12-16(11-22-23)17-6-5-14(9-20-17)10-21-18(24)15-4-2-3-13(7-15)8-19/h2-7,9,11-12H,10H2,1H3,(H,21,24).
What are the key properties of 3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 317.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 119105290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).