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

C19H22N6O2 — CID 138587111

IUPAC2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CCO1
InChIInChI=1S/C19H22N6O2/c1-13-10-25(5-6-27-13)12-19(26)21-18-8-15-7-14(3-4-17(15)22-23-18)16-9-20-24(2)11-16/h3-4,7-9,11,13H,5-6,10,12H2,1-2H3,(H,21,23,26)/t13-/m0/s1
InChIKeyJHWCKVICLVWRET-ZDUSSCGKSA-N
MW366.43 g/mol
LogP1.69
Rot. Bonds4

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

2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide (PubChem CID 138587111) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
PubChem CID138587111
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CCO1
InChIInChI=1S/C19H22N6O2/c1-13-10-25(5-6-27-13)12-19(26)21-18-8-15-7-14(3-4-17(15)22-23-18)16-9-20-24(2)11-16/h3-4,7-9,11,13H,5-6,10,12H2,1-2H3,(H,21,23,26)/t13-/m0/s1
InChIKeyJHWCKVICLVWRET-ZDUSSCGKSA-N
XLogP1.69
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138588375
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138591082
2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138589116
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138590694
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409
1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586873
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]acetamide
CID 138588974
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
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-morpholin-4-ylpropan-2-one
CID 148508594
(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
CID 138588985

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The IUPAC name of 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide (CID 138587111) is 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide is C[C@H]1CN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CCO1.
What is the InChIKey of 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The InChIKey is JHWCKVICLVWRET-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-10-25(5-6-27-13)12-19(26)21-18-8-15-7-14(3-4-17(15)22-23-18)16-9-20-24(2)11-16/h3-4,7-9,11,13H,5-6,10,12H2,1-2H3,(H,21,23,26)/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide has a molecular weight of 366.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide is sourced from PubChem (CID 138587111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).