N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C14H21N3O3S — CID 112520050

IUPACN-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(C)CNC(=O)c1cncc2c1CCN(S(C)(=O)=O)C2
InChIInChI=1S/C14H21N3O3S/c1-10(2)6-16-14(18)13-8-15-7-11-9-17(21(3,19)20)5-4-12(11)13/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyNZWNYTOIYRCMJY-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.79
Rot. Bonds4

About N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 112520050) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID112520050
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(C)CNC(=O)c1cncc2c1CCN(S(C)(=O)=O)C2
InChIInChI=1S/C14H21N3O3S/c1-10(2)6-16-14(18)13-8-15-7-11-9-17(21(3,19)20)5-4-12(11)13/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyNZWNYTOIYRCMJY-UHFFFAOYSA-N
XLogP0.79
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522292
2-N,2-N-dimethyl-5-N-(2-methylpropyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520053
7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530801
(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 112530448
[4-(hydroxymethyl)piperidin-1-yl]-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
CID 112531750
N-(2-methyl-1H-indol-7-yl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112526788
4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 112532073
2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112522295
N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide
CID 124809767
[3-(2-aminoethyl)indol-1-yl]-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
CID 112528845
7-methyl-N-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530216
methyl 5-(2-morpholin-4-ylethylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520313

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 112520050) is N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CC(C)CNC(=O)c1cncc2c1CCN(S(C)(=O)=O)C2.
What is the InChIKey of N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is NZWNYTOIYRCMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(2)6-16-14(18)13-8-15-7-11-9-17(21(3,19)20)5-4-12(11)13/h7-8,10H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112520050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).