N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

C18H26N4O2 — CID 138026433

IUPACN-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NC(c2cnn(C)c2)C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C18H26N4O2/c1-11(2)14-8-7-13(16(23)20-14)17(24)21-15(18(3,4)5)12-9-19-22(6)10-12/h7-11,15H,1-6H3,(H,20,23)(H,21,24)
InChIKeyOVOWYQBMCHYDBL-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.75
Rot. Bonds4

About N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 138026433) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID138026433
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NC(c2cnn(C)c2)C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C18H26N4O2/c1-11(2)14-8-7-13(16(23)20-14)17(24)21-15(18(3,4)5)12-9-19-22(6)10-12/h7-11,15H,1-6H3,(H,20,23)(H,21,24)
InChIKeyOVOWYQBMCHYDBL-UHFFFAOYSA-N
XLogP2.75
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 91791981
4-[[(1R)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]carbamoyl]benzoic acid
CID 129466846
5-[[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]carbamoyl]thiophene-2-carboxylic acid
CID 119187279
N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 171444803
N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026432
2-[[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119187280
(3R,4S)-N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120937117
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
(1R,2S,4R)-N-[(1R)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124865852
4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 99717451
2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497251

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (CID 138026433) is N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1ccc(C(=O)NC(c2cnn(C)c2)C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is OVOWYQBMCHYDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-11(2)14-8-7-13(16(23)20-14)17(24)21-15(18(3,4)5)12-9-19-22(6)10-12/h7-11,15H,1-6H3,(H,20,23)(H,21,24).
What are the key properties of N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138026433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).