N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C19H20N4O3S — CID 112526788

IUPACN-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCc1cc2cccc(NC(=O)c3cncc4c3CCN(S(C)(=O)=O)C4)c2[nH]1
InChIInChI=1S/C19H20N4O3S/c1-12-8-13-4-3-5-17(18(13)21-12)22-19(24)16-10-20-9-14-11-23(27(2,25)26)7-6-15(14)16/h3-5,8-10,21H,6-7,11H2,1-2H3,(H,22,24)
InChIKeyIUZCDMGWSVYZPK-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.44
Rot. Bonds3

About N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 112526788) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID112526788
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCc1cc2cccc(NC(=O)c3cncc4c3CCN(S(C)(=O)=O)C4)c2[nH]1
InChIInChI=1S/C19H20N4O3S/c1-12-8-13-4-3-5-17(18(13)21-12)22-19(24)16-10-20-9-14-11-23(27(2,25)26)7-6-15(14)16/h3-5,8-10,21H,6-7,11H2,1-2H3,(H,22,24)
InChIKeyIUZCDMGWSVYZPK-UHFFFAOYSA-N
XLogP2.44
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(1H-indol-7-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112526644
2-N,2-N-dimethyl-5-N-(2-methyl-1H-indol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112526494
7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530801
N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112520050
7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522292
(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 112530448
7-acetyl-N-(2,3-dimethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522571
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
CID 86878423
methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520462
ethyl 5-[(2,3-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522574
5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520617
3-fluoro-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-pyrazol-1-ylbenzamide
CID 86890472

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 112526788) is N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is Cc1cc2cccc(NC(=O)c3cncc4c3CCN(S(C)(=O)=O)C4)c2[nH]1.
What is the InChIKey of N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is IUZCDMGWSVYZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-12-8-13-4-3-5-17(18(13)21-12)22-19(24)16-10-20-9-14-11-23(27(2,25)26)7-6-15(14)16/h3-5,8-10,21H,6-7,11H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112526788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).