N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C17H22N4O2 — CID 70741064

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCCCn2nccc2C2CC2)c(=O)[nH]c1C
InChIInChI=1S/C17H22N4O2/c1-11-10-14(17(23)20-12(11)2)16(22)18-7-3-9-21-15(6-8-19-21)13-4-5-13/h6,8,10,13H,3-5,7,9H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyLCANKFUVIAJIEP-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.89
Rot. Bonds6

About N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 70741064) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID70741064
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCCCn2nccc2C2CC2)c(=O)[nH]c1C
InChIInChI=1S/C17H22N4O2/c1-11-10-14(17(23)20-12(11)2)16(22)18-7-3-9-21-15(6-8-19-21)13-4-5-13/h6,8,10,13H,3-5,7,9H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyLCANKFUVIAJIEP-UHFFFAOYSA-N
XLogP1.89
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 70741064) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C(=O)NCCCn2nccc2C2CC2)c(=O)[nH]c1C.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LCANKFUVIAJIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-10-14(17(23)20-12(11)2)16(22)18-7-3-9-21-15(6-8-19-21)13-4-5-13/h6,8,10,13H,3-5,7,9H2,1-2H3,(H,18,22)(H,20,23).
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70741064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).