4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide

C17H14N6O3S — CID 16666124

IUPAC4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide
SMILESCc1cc(S(C)(=O)=O)cc2c(Nc3cncc(C#N)c3)c(C(N)=O)nnc12
InChIInChI=1S/C17H14N6O3S/c1-9-3-12(27(2,25)26)5-13-14(9)22-23-16(17(19)24)15(13)21-11-4-10(6-18)7-20-8-11/h3-5,7-8H,1-2H3,(H2,19,24)(H,21,22)
InChIKeyWFTUSRXPBXAYOK-UHFFFAOYSA-N
MW382.41 g/mol
LogP1.45
Rot. Bonds4

About 4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide

4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide (PubChem CID 16666124) has the molecular formula C17H14N6O3S and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide
PubChem CID16666124
Molecular FormulaC17H14N6O3S
Molecular Weight382.41 g/mol
Exact Mass382.08
IUPAC Name4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide
SMILESCc1cc(S(C)(=O)=O)cc2c(Nc3cncc(C#N)c3)c(C(N)=O)nnc12
InChIInChI=1S/C17H14N6O3S/c1-9-3-12(27(2,25)26)5-13-14(9)22-23-16(17(19)24)15(13)21-11-4-10(6-18)7-20-8-11/h3-5,7-8H,1-2H3,(H2,19,24)(H,21,22)
InChIKeyWFTUSRXPBXAYOK-UHFFFAOYSA-N
XLogP1.45
TPSA151.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-Cyanoanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11406358
4-(3-Cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11314577
6-(Benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide
CID 11430281
4-[3-(Aminomethyl)anilino]-6-methylsulfonylquinoline-3-carboxamide
CID 44564774
6-Methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide
CID 44564773
6-(Benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide
CID 45485431
6-Ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide
CID 11165147
4-(3-Fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11280234
4-[(5-Fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11314814
4-(2,3-Difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11361320
8-Ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11395088
6-Tert-butylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide
CID 11395920

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide?
The IUPAC name of 4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide (CID 16666124) is 4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide.
What is the SMILES notation for 4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide?
The canonical SMILES for 4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide is Cc1cc(S(C)(=O)=O)cc2c(Nc3cncc(C#N)c3)c(C(N)=O)nnc12.
What is the InChIKey of 4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide?
The InChIKey is WFTUSRXPBXAYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3S/c1-9-3-12(27(2,25)26)5-13-14(9)22-23-16(17(19)24)15(13)21-11-4-10(6-18)7-20-8-11/h3-5,7-8H,1-2H3,(H2,19,24)(H,21,22).
What are the key properties of 4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide?
4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide is sourced from PubChem (CID 16666124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).