N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide

C27H28N6O4S — CID 176666832

IUPACN-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
SMILESCOC1(C)CCN(c2cccc(-c3ccc4cnc(CNC(=O)c5cncc(S(C)(=O)=O)c5)cc4n3)n2)C1
InChIInChI=1S/C27H28N6O4S/c1-27(37-2)9-10-33(17-27)25-6-4-5-22(32-25)23-8-7-18-14-29-20(12-24(18)31-23)15-30-26(34)19-11-21(16-28-13-19)38(3,35)36/h4-8,11-14,16H,9-10,15,17H2,1-3H3,(H,30,34)
InChIKeySWPLTPHWAHXFMB-UHFFFAOYSA-N
MW532.63 g/mol
LogP3.04
Rot. Bonds7

About N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide

N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide (PubChem CID 176666832) has the molecular formula C27H28N6O4S and a molecular weight of 532.63 g/mol. Its IUPAC name is N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
PubChem CID176666832
Molecular FormulaC27H28N6O4S
Molecular Weight532.63 g/mol
Exact Mass532.19
IUPAC NameN-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
SMILESCOC1(C)CCN(c2cccc(-c3ccc4cnc(CNC(=O)c5cncc(S(C)(=O)=O)c5)cc4n3)n2)C1
InChIInChI=1S/C27H28N6O4S/c1-27(37-2)9-10-33(17-27)25-6-4-5-22(32-25)23-8-7-18-14-29-20(12-24(18)31-23)15-30-26(34)19-11-21(16-28-13-19)38(3,35)36/h4-8,11-14,16H,9-10,15,17H2,1-3H3,(H,30,34)
InChIKeySWPLTPHWAHXFMB-UHFFFAOYSA-N
XLogP3.04
TPSA127.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.63
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666755
3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen
CID 176666569
N-[[2-[6-(3-hydroxy-4,4-dimethoxypiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide
CID 176666586
N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666907
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
N-[[2-[6-(1,1-dioxo-1,3-thiazinan-3-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665279
N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 176665359
N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide
CID 176666777
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
3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen
CID 176665900
tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate
CID 176904972
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide (CID 176666832) is N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide is COC1(C)CCN(c2cccc(-c3ccc4cnc(CNC(=O)c5cncc(S(C)(=O)=O)c5)cc4n3)n2)C1.
What is the InChIKey of N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?
The InChIKey is SWPLTPHWAHXFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4S/c1-27(37-2)9-10-33(17-27)25-6-4-5-22(32-25)23-8-7-18-14-29-20(12-24(18)31-23)15-30-26(34)19-11-21(16-28-13-19)38(3,35)36/h4-8,11-14,16H,9-10,15,17H2,1-3H3,(H,30,34).
What are the key properties of N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?
N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide has a molecular weight of 532.63 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 176666832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).