6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide

C18H19N5O — CID 51095820

IUPAC6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCc2ccccc2-n2cccn2)cn1
InChIInChI=1S/C18H19N5O/c1-22(2)17-9-8-15(13-19-17)18(24)20-12-14-6-3-4-7-16(14)23-11-5-10-21-23/h3-11,13H,12H2,1-2H3,(H,20,24)
InChIKeyVRQHLIVOKDDPBL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.26
Rot. Bonds5

About 6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide

6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 51095820) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
PubChem CID51095820
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCc2ccccc2-n2cccn2)cn1
InChIInChI=1S/C18H19N5O/c1-22(2)17-9-8-15(13-19-17)18(24)20-12-14-6-3-4-7-16(14)23-11-5-10-21-23/h3-11,13H,12H2,1-2H3,(H,20,24)
InChIKeyVRQHLIVOKDDPBL-UHFFFAOYSA-N
XLogP2.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dimethylamino)-N-(1H-pyrazol-5-ylmethyl)pyridine-3-carboxamide
CID 47351026
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 48834750
1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 97212409
N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 171672740
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156545
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
3-N,3-N-dimethyl-2-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazine-2,3-diamine
CID 134714332
6-(dimethylamino)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 37273166
2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
CID 136579374
6-(dimethylamino)-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide
CID 71942372

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide (CID 51095820) is 6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NCc2ccccc2-n2cccn2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is VRQHLIVOKDDPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22(2)17-9-8-15(13-19-17)18(24)20-12-14-6-3-4-7-16(14)23-11-5-10-21-23/h3-11,13H,12H2,1-2H3,(H,20,24).
What are the key properties of 6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 51095820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).