N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide

C17H24N4O2 — CID 157012975

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCc1cc(C)n(CC(C)NC(=O)c2ccc(=O)[nH]c2C(C)C)n1
InChIInChI=1S/C17H24N4O2/c1-10(2)16-14(6-7-15(22)19-16)17(23)18-12(4)9-21-13(5)8-11(3)20-21/h6-8,10,12H,9H2,1-5H3,(H,18,23)(H,19,22)
InChIKeyCRRNMKNXXGJBRT-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.13
Rot. Bonds5

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 157012975) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID157012975
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCc1cc(C)n(CC(C)NC(=O)c2ccc(=O)[nH]c2C(C)C)n1
InChIInChI=1S/C17H24N4O2/c1-10(2)16-14(6-7-15(22)19-16)17(23)18-12(4)9-21-13(5)8-11(3)20-21/h6-8,10,12H,9H2,1-5H3,(H,18,23)(H,19,22)
InChIKeyCRRNMKNXXGJBRT-UHFFFAOYSA-N
XLogP2.13
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
CID 56789428
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97129962
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496063
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide
CID 51586879
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CID 95850098
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1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 95122494
2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide
CID 119064151
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide (CID 157012975) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide is Cc1cc(C)n(CC(C)NC(=O)c2ccc(=O)[nH]c2C(C)C)n1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is CRRNMKNXXGJBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-10(2)16-14(6-7-15(22)19-16)17(23)18-12(4)9-21-13(5)8-11(3)20-21/h6-8,10,12H,9H2,1-5H3,(H,18,23)(H,19,22).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 157012975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).