N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide

C17H18N4O — CID 97259949

IUPACN-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
SMILESC[C@@H]1CC(NC(=O)c2ccncc2)=NN1Cc1ccccc1
InChIInChI=1S/C17H18N4O/c1-13-11-16(19-17(22)15-7-9-18-10-8-15)20-21(13)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,19,20,22)/t13-/m1/s1
InChIKeyVTHRHKDVXVRHMD-CYBMUJFWSA-N
MW294.36 g/mol
LogP2.42
Rot. Bonds3

About N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide

N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide (PubChem CID 97259949) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
PubChem CID97259949
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
SMILESC[C@@H]1CC(NC(=O)c2ccncc2)=NN1Cc1ccccc1
InChIInChI=1S/C17H18N4O/c1-13-11-16(19-17(22)15-7-9-18-10-8-15)20-21(13)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,19,20,22)/t13-/m1/s1
InChIKeyVTHRHKDVXVRHMD-CYBMUJFWSA-N
XLogP2.42
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 97259948
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide
CID 1456521
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine-4-carboxamide
CID 35521557
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
N-(benzylcarbamoyl)pyridine-4-carboxamide
CID 871557

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide (CID 97259949) is N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide is C[C@@H]1CC(NC(=O)c2ccncc2)=NN1Cc1ccccc1.
What is the InChIKey of N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide?
The InChIKey is VTHRHKDVXVRHMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13-11-16(19-17(22)15-7-9-18-10-8-15)20-21(13)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,19,20,22)/t13-/m1/s1.
What are the key properties of N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide?
N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97259949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).