N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide

C24H22Cl3N5O4S — CID 123495473

IUPACN-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
SMILESCC(N)C(=O)NC1Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)nc2N(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C24H22Cl3N5O4S/c1-13(28)23(33)29-16-10-14-8-9-20(31-24(34)21-18(26)6-3-7-19(21)27)30-22(14)32(12-16)37(35,36)17-5-2-4-15(25)11-17/h2-9,11,13,16H,10,12,28H2,1H3,(H,29,33)(H,30,31,34)
InChIKeyJOYMJSHMCQINQV-UHFFFAOYSA-N
MW582.90 g/mol
LogP3.88
Rot. Bonds6

About N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide

N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide (PubChem CID 123495473) has the molecular formula C24H22Cl3N5O4S and a molecular weight of 582.90 g/mol. Its IUPAC name is N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
PubChem CID123495473
Molecular FormulaC24H22Cl3N5O4S
Molecular Weight582.90 g/mol
Exact Mass581.05
IUPAC NameN-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
SMILESCC(N)C(=O)NC1Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)nc2N(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C24H22Cl3N5O4S/c1-13(28)23(33)29-16-10-14-8-9-20(31-24(34)21-18(26)6-3-7-19(21)27)30-22(14)32(12-16)37(35,36)17-5-2-4-15(25)11-17/h2-9,11,13,16H,10,12,28H2,1H3,(H,29,33)(H,30,31,34)
InChIKeyJOYMJSHMCQINQV-UHFFFAOYSA-N
XLogP3.88
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.90
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
CID 123472446
2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid
CID 123996266
N-[7-(2-aminopropanoylamino)-5-(3-chlorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
CID 123268028
2,6-dichloro-N-[(2S)-4-(3-chlorophenyl)sulfonyl-2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 144913071
2,6-dichloro-N-[(2S)-4-(3-chlorophenyl)sulfonyl-2-[(dimethylamino)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 118070862
(2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide
CID 146844067
N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide
CID 123638259
N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide
CID 118070851
(2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide
CID 147703963
N-[3-acetamido-1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-pyrido[2,3-b][1,4]oxazepin-8-yl]-2,6-dichlorobenzamide
CID 123864914
2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 144913092
2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 144913099

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide (CID 123495473) is N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide is CC(N)C(=O)NC1Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)nc2N(S(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide?
The InChIKey is JOYMJSHMCQINQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl3N5O4S/c1-13(28)23(33)29-16-10-14-8-9-20(31-24(34)21-18(26)6-3-7-19(21)27)30-22(14)32(12-16)37(35,36)17-5-2-4-15(25)11-17/h2-9,11,13,16H,10,12,28H2,1H3,(H,29,33)(H,30,31,34).
What are the key properties of N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide?
N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide has a molecular weight of 582.90 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 123495473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).