6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide

C21H24N6O3 — CID 135129676

IUPAC6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide
SMILESCOc1cc(-c2c[nH]n(-c3ccc(C(=O)NCN4CCCCC4)cn3)c2=O)ccn1
InChIInChI=1S/C21H24N6O3/c1-30-19-11-15(7-8-22-19)17-13-25-27(21(17)29)18-6-5-16(12-23-18)20(28)24-14-26-9-3-2-4-10-26/h5-8,11-13,25H,2-4,9-10,14H2,1H3,(H,24,28)
InChIKeyJOUNNTNBPPCTRM-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.80
Rot. Bonds6

About 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide

6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide (PubChem CID 135129676) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide
PubChem CID135129676
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide
SMILESCOc1cc(-c2c[nH]n(-c3ccc(C(=O)NCN4CCCCC4)cn3)c2=O)ccn1
InChIInChI=1S/C21H24N6O3/c1-30-19-11-15(7-8-22-19)17-13-25-27(21(17)29)18-6-5-16(12-23-18)20(28)24-14-26-9-3-2-4-10-26/h5-8,11-13,25H,2-4,9-10,14H2,1H3,(H,24,28)
InChIKeyJOUNNTNBPPCTRM-UHFFFAOYSA-N
XLogP1.80
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
CID 123730098
2-[5-[hydroxy-[(4-methylmorpholin-2-yl)methylamino]methyl]-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)-1H-pyrazol-3-one
CID 123772399
2-(5-hexanoyl-2-pyridinyl)-4-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-one
CID 170013408
6-[4-[4-(cyanomethyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 172744078
6-[4-(4-butoxy-3-methylphenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 168846315
N-[(2-methoxy-4-pyridinyl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 18167458
N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 90789328
6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide
CID 156860293
N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 135129705
ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide
CID 143687198
2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 25073750
6-methoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24532714

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide (CID 135129676) is 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide is COc1cc(-c2c[nH]n(-c3ccc(C(=O)NCN4CCCCC4)cn3)c2=O)ccn1.
What is the InChIKey of 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide?
The InChIKey is JOUNNTNBPPCTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-30-19-11-15(7-8-22-19)17-13-25-27(21(17)29)18-6-5-16(12-23-18)20(28)24-14-26-9-3-2-4-10-26/h5-8,11-13,25H,2-4,9-10,14H2,1H3,(H,24,28).
What are the key properties of 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide?
6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(piperidin-1-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135129676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).