(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide

C18H20N6O — CID 138588985

IUPAC(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)[C@H]4CCCNC4)cc3c2)cn1
InChIInChI=1S/C18H20N6O/c1-24-11-15(10-20-24)12-4-5-16-14(7-12)8-17(23-22-16)21-18(25)13-3-2-6-19-9-13/h4-5,7-8,10-11,13,19H,2-3,6,9H2,1H3,(H,21,23,25)/t13-/m0/s1
InChIKeyIFXQTXAVXCOHEC-ZDUSSCGKSA-N
MW336.40 g/mol
LogP1.97
Rot. Bonds3

About (3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide

(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide (PubChem CID 138588985) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
PubChem CID138588985
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)[C@H]4CCCNC4)cc3c2)cn1
InChIInChI=1S/C18H20N6O/c1-24-11-15(10-20-24)12-4-5-16-14(7-12)8-17(23-22-16)21-18(25)13-3-2-6-19-9-13/h4-5,7-8,10-11,13,19H,2-3,6,9H2,1H3,(H,21,23,25)/t13-/m0/s1
InChIKeyIFXQTXAVXCOHEC-ZDUSSCGKSA-N
XLogP1.97
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
CID 138586977
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
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
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138588367
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-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138588375
2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138589116
N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide
CID 140816424
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide
CID 138588149

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide (CID 138588985) is (3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide is Cn1cc(-c2ccc3nnc(NC(=O)[C@H]4CCCNC4)cc3c2)cn1.
What is the InChIKey of (3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide?
The InChIKey is IFXQTXAVXCOHEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N6O/c1-24-11-15(10-20-24)12-4-5-16-14(7-12)8-17(23-22-16)21-18(25)13-3-2-6-19-9-13/h4-5,7-8,10-11,13,19H,2-3,6,9H2,1H3,(H,21,23,25)/t13-/m0/s1.
What are the key properties of (3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide?
(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 138588985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).