2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide

C20H24N6O — CID 138588375

IUPAC2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
SMILESCC1CCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CC1
InChIInChI=1S/C20H24N6O/c1-14-5-7-26(8-6-14)13-20(27)22-19-10-16-9-15(3-4-18(16)23-24-19)17-11-21-25(2)12-17/h3-4,9-12,14H,5-8,13H2,1-2H3,(H,22,24,27)
InChIKeyHVQCQPQVFFWNHT-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.70
Rot. Bonds4

About 2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide

2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide (PubChem CID 138588375) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
PubChem CID138588375
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
SMILESCC1CCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CC1
InChIInChI=1S/C20H24N6O/c1-14-5-7-26(8-6-14)13-20(27)22-19-10-16-9-15(3-4-18(16)23-24-19)17-11-21-25(2)12-17/h3-4,9-12,14H,5-8,13H2,1-2H3,(H,22,24,27)
InChIKeyHVQCQPQVFFWNHT-UHFFFAOYSA-N
XLogP2.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138589116
2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138587111
1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586873
2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138591082
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 138587776
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138590694
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408
(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
CID 138588985
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
CID 138587835

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide (CID 138588375) is 2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide is CC1CCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The InChIKey is HVQCQPQVFFWNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-5-7-26(8-6-14)13-20(27)22-19-10-16-9-15(3-4-18(16)23-24-19)17-11-21-25(2)12-17/h3-4,9-12,14H,5-8,13H2,1-2H3,(H,22,24,27).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide is sourced from PubChem (CID 138588375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).