N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

C18H24N4O2 — CID 138026666

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCc2ccn(C3CCCC3)n2)c(=O)[nH]1
InChIInChI=1S/C18H24N4O2/c1-12(2)16-8-7-15(18(24)20-16)17(23)19-11-13-9-10-22(21-13)14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyAXFJTFATOAZVMN-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.74
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 138026666) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID138026666
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCc2ccn(C3CCCC3)n2)c(=O)[nH]1
InChIInChI=1S/C18H24N4O2/c1-12(2)16-8-7-15(18(24)20-16)17(23)19-11-13-9-10-22(21-13)14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyAXFJTFATOAZVMN-UHFFFAOYSA-N
XLogP2.74
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (CID 138026666) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1ccc(C(=O)NCc2ccn(C3CCCC3)n2)c(=O)[nH]1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is AXFJTFATOAZVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(2)16-8-7-15(18(24)20-16)17(23)19-11-13-9-10-22(21-13)14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138026666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).