N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide

C15H18N4O2 — CID 164630233

IUPACN-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(=O)[nH]2)nn1[C@@H](C)C1CC1
InChIInChI=1S/C15H18N4O2/c1-9-8-13(18-19(9)10(2)11-6-7-11)17-15(21)12-4-3-5-14(20)16-12/h3-5,8,10-11H,6-7H2,1-2H3,(H,16,20)(H,17,18,21)/t10-/m0/s1
InChIKeyVOFHZQYRJFSDNC-JTQLQIEISA-N
MW286.33 g/mol
LogP2.10
Rot. Bonds4

About N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide

N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 164630233) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID164630233
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(=O)[nH]2)nn1[C@@H](C)C1CC1
InChIInChI=1S/C15H18N4O2/c1-9-8-13(18-19(9)10(2)11-6-7-11)17-15(21)12-4-3-5-14(20)16-12/h3-5,8,10-11H,6-7H2,1-2H3,(H,16,20)(H,17,18,21)/t10-/m0/s1
InChIKeyVOFHZQYRJFSDNC-JTQLQIEISA-N
XLogP2.10
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 45795795
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CID 46981201
CID 46981201
CID 52234226
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CID 36142051
CID 36142051
CID 36799947
CID 36799947
CID 36800023
CID 36800023
CID 36800338
CID 36800338
CID 36800668
CID 36800668
CID 36802067
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CID 39041720
CID 39041720
CID 53524792
CID 53524792

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide (CID 164630233) is N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide is Cc1cc(NC(=O)c2cccc(=O)[nH]2)nn1[C@@H](C)C1CC1.
What is the InChIKey of N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is VOFHZQYRJFSDNC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-8-13(18-19(9)10(2)11-6-7-11)17-15(21)12-4-3-5-14(20)16-12/h3-5,8,10-11H,6-7H2,1-2H3,(H,16,20)(H,17,18,21)/t10-/m0/s1.
What are the key properties of N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 164630233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).