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

C16H22N4O2 — CID 95916438

IUPACN-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCC[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1cnn(CC)c1
InChIInChI=1S/C16H22N4O2/c1-5-13(12-8-17-20(6-2)9-12)19-16(22)14-10(3)7-11(4)18-15(14)21/h7-9,13H,5-6H2,1-4H3,(H,18,21)(H,19,22)/t13-/m0/s1
InChIKeyFKOGNXWBUYDAFM-ZDUSSCGKSA-N
MW302.38 g/mol
LogP2.09
Rot. Bonds5

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

N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95916438) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95916438
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCC[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1cnn(CC)c1
InChIInChI=1S/C16H22N4O2/c1-5-13(12-8-17-20(6-2)9-12)19-16(22)14-10(3)7-11(4)18-15(14)21/h7-9,13H,5-6H2,1-4H3,(H,18,21)(H,19,22)/t13-/m0/s1
InChIKeyFKOGNXWBUYDAFM-ZDUSSCGKSA-N
XLogP2.09
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 95916438) is N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is CC[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1cnn(CC)c1.
What is the InChIKey of N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FKOGNXWBUYDAFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-5-13(12-8-17-20(6-2)9-12)19-16(22)14-10(3)7-11(4)18-15(14)21/h7-9,13H,5-6H2,1-4H3,(H,18,21)(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95916438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).