N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide

C24H22N4O4S — CID 156818219

IUPACN-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide
SMILESCS(=O)(=O)n1ccc(C(=O)NCc2cc3nc(-c4cccc(OC5CC5)c4)ccc3cn2)c1
InChIInChI=1S/C24H22N4O4S/c1-33(30,31)28-10-9-18(15-28)24(29)26-14-19-12-23-17(13-25-19)5-8-22(27-23)16-3-2-4-21(11-16)32-20-6-7-20/h2-5,8-13,15,20H,6-7,14H2,1H3,(H,26,29)
InChIKeyVQBYGVKOWXYXSX-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.38
Rot. Bonds7

About N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide

N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide (PubChem CID 156818219) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide
PubChem CID156818219
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide
SMILESCS(=O)(=O)n1ccc(C(=O)NCc2cc3nc(-c4cccc(OC5CC5)c4)ccc3cn2)c1
InChIInChI=1S/C24H22N4O4S/c1-33(30,31)28-10-9-18(15-28)24(29)26-14-19-12-23-17(13-25-19)5-8-22(27-23)16-3-2-4-21(11-16)32-20-6-7-20/h2-5,8-13,15,20H,6-7,14H2,1H3,(H,26,29)
InChIKeyVQBYGVKOWXYXSX-UHFFFAOYSA-N
XLogP3.38
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(difluoromethylsulfanyl)-N-[[2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665912
1-methylsulfonyl-N-[2-oxo-2-[[4-[3-(pyridin-4-ylmethoxy)phenyl]-1,3-thiazol-2-yl]amino]ethyl]pyrrole-3-carboxamide
CID 154669340
N-[[2-(5-cyclopropyloxy-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,1-dioxo-3,5-dihydro-2H-4,1λ6-benzoxathiepine-8-carboxamide
CID 170544845
4-methyl-3-methylsulfonyl-N-[[2-[6-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665280
N-[[2-(3-cyclopropylphenyl)-1,6-naphthyridin-7-yl]methyl]-1,1-dioxo-3,5-dihydro-2H-[1,4]oxathiepino[6,5-b]pyridine-8-carboxamide
CID 170544566
1-(cyclopropylidene-methyl-oxo-λ6-sulfanyl)-N-[2-oxo-3-[4-[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]propyl]pyrrole-3-carboxamide
CID 154668167
4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide
CID 176665328
N-[[2-[6-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-2,3-dimethyl-5-methylsulfonylbenzamide
CID 176665431
4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide
CID 170545018
N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666832
N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665510
formonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide
CID 156818585

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide?
The IUPAC name of N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide (CID 156818219) is N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide.
What is the SMILES notation for N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide?
The canonical SMILES for N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide is CS(=O)(=O)n1ccc(C(=O)NCc2cc3nc(-c4cccc(OC5CC5)c4)ccc3cn2)c1.
What is the InChIKey of N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide?
The InChIKey is VQBYGVKOWXYXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-33(30,31)28-10-9-18(15-28)24(29)26-14-19-12-23-17(13-25-19)5-8-22(27-23)16-3-2-4-21(11-16)32-20-6-7-20/h2-5,8-13,15,20H,6-7,14H2,1H3,(H,26,29).
What are the key properties of N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide?
N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-cyclopropyloxyphenyl)-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonylpyrrole-3-carboxamide is sourced from PubChem (CID 156818219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).