N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide

C20H22N4O2 — CID 50957301

IUPACN,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H22N4O2/c1-13-10-14(2)24(4)20(26)18(13)19(25)23(3)12-16-11-17(22-21-16)15-8-6-5-7-9-15/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyQOWFJXJYTHXNAN-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.66
Rot. Bonds4

About N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide

N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 50957301) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID50957301
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H22N4O2/c1-13-10-14(2)24(4)20(26)18(13)19(25)23(3)12-16-11-17(22-21-16)15-8-6-5-7-9-15/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyQOWFJXJYTHXNAN-UHFFFAOYSA-N
XLogP2.66
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide
CID 90651231
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CID 154901670
N,1,4,6-tetramethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 50974880
N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide
CID 55813894
3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea
CID 122560770
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 46996473
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid
CID 154886914
1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 126430865
N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 172911318
3-bromo-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 55969519
N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55814944
N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 50959051

Frequently Asked Questions

What is the IUPAC name of N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide (CID 50957301) is N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide is Cc1cc(C)n(C)c(=O)c1C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is QOWFJXJYTHXNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-10-14(2)24(4)20(26)18(13)19(25)23(3)12-16-11-17(22-21-16)15-8-6-5-7-9-15/h5-11H,12H2,1-4H3,(H,21,22).
What are the key properties of N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide?
N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 50957301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).