N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide

C13H16N4O2 — CID 125435251

IUPACN-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cnn([C@H](C)CNC(=O)c2cccc(=O)[nH]2)c1
InChIInChI=1S/C13H16N4O2/c1-9-6-15-17(8-9)10(2)7-14-13(19)11-4-3-5-12(18)16-11/h3-6,8,10H,7H2,1-2H3,(H,14,19)(H,16,18)/t10-/m1/s1
InChIKeyNHGKSCKNFMYLEF-SNVBAGLBSA-N
MW260.30 g/mol
LogP0.87
Rot. Bonds4

About N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide

N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 125435251) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID125435251
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cnn([C@H](C)CNC(=O)c2cccc(=O)[nH]2)c1
InChIInChI=1S/C13H16N4O2/c1-9-6-15-17(8-9)10(2)7-14-13(19)11-4-3-5-12(18)16-11/h3-6,8,10H,7H2,1-2H3,(H,14,19)(H,16,18)/t10-/m1/s1
InChIKeyNHGKSCKNFMYLEF-SNVBAGLBSA-N
XLogP0.87
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide (CID 125435251) is N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide is Cc1cnn([C@H](C)CNC(=O)c2cccc(=O)[nH]2)c1.
What is the InChIKey of N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is NHGKSCKNFMYLEF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-6-15-17(8-9)10(2)7-14-13(19)11-4-3-5-12(18)16-11/h3-6,8,10H,7H2,1-2H3,(H,14,19)(H,16,18)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 125435251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).