N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C17H16N4O — CID 3916665

IUPACN-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2ccc(C(=O)NCc3ccccc3)cn2)cn1
InChIInChI=1S/C17H16N4O/c1-21-12-15(11-20-21)16-8-7-14(10-18-16)17(22)19-9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,19,22)
InChIKeyMQKJFNYHRFTSCW-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.41
Rot. Bonds4

About N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 3916665) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID3916665
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2ccc(C(=O)NCc3ccccc3)cn2)cn1
InChIInChI=1S/C17H16N4O/c1-21-12-15(11-20-21)16-8-7-14(10-18-16)17(22)19-9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,19,22)
InChIKeyMQKJFNYHRFTSCW-UHFFFAOYSA-N
XLogP2.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 4188027
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-methylsulfanylbenzamide
CID 121022535
3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 119105290
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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 122274332
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
CID 122162703
4-methoxy-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 122274507
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 3916665) is N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2ccc(C(=O)NCc3ccccc3)cn2)cn1.
What is the InChIKey of N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is MQKJFNYHRFTSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21-12-15(11-20-21)16-8-7-14(10-18-16)17(22)19-9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,19,22).
What are the key properties of N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 3916665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).