N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide

C24H26Cl2N4O5 — CID 123735229

IUPACN-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(NC4COCCC4NC(C)=O)cc3n(C)c2=O)c1Cl
InChIInChI=1S/C24H26Cl2N4O5/c1-12(31)28-15-5-6-35-11-16(15)29-20-8-17-13(10-27-20)7-14(24(32)30(17)2)21-22(25)18(33-3)9-19(34-4)23(21)26/h7-10,15-16H,5-6,11H2,1-4H3,(H,27,29)(H,28,31)
InChIKeyAYTQALDAIPVBFF-UHFFFAOYSA-N
MW521.40 g/mol
LogP3.63
Rot. Bonds6

About N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide

N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide (PubChem CID 123735229) has the molecular formula C24H26Cl2N4O5 and a molecular weight of 521.40 g/mol. Its IUPAC name is N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide
PubChem CID123735229
Molecular FormulaC24H26Cl2N4O5
Molecular Weight521.40 g/mol
Exact Mass520.13
IUPAC NameN-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(NC4COCCC4NC(C)=O)cc3n(C)c2=O)c1Cl
InChIInChI=1S/C24H26Cl2N4O5/c1-12(31)28-15-5-6-35-11-16(15)29-20-8-17-13(10-27-20)7-14(24(32)30(17)2)21-22(25)18(33-3)9-19(34-4)23(21)26/h7-10,15-16H,5-6,11H2,1-4H3,(H,27,29)(H,28,31)
InChIKeyAYTQALDAIPVBFF-UHFFFAOYSA-N
XLogP3.63
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3S,4S)-3-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[3,4-d]pyrimidin-6-yl]amino]oxan-4-yl]acetamide
CID 139456458
N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-6-methyl-5-oxo-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 139385460
N-[(3S,4S)-3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-[(1-methylazetidin-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]acetamide
CID 139456444
N-[(3R)-4-[[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 163457307
N-[3-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxan-4-yl]prop-2-enamide
CID 123326292
tert-butyl N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]carbamate
CID 123991470
N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-hydroxyethylamino)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide
CID 139385290
N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide
CID 135180552
N-[3-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]amino]oxan-4-yl]formamide
CID 167095650
N-[3-[[2-(2,6-dichloro-3,5-dimethoxybenzoyl)thieno[2,3-c]pyridin-5-yl]amino]oxan-4-yl]prop-2-enamide
CID 155058234
N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 163908344
N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-oxo-6H-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 135180050

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide?
The IUPAC name of N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide (CID 123735229) is N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide.
What is the SMILES notation for N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide?
The canonical SMILES for N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide is COc1cc(OC)c(Cl)c(-c2cc3cnc(NC4COCCC4NC(C)=O)cc3n(C)c2=O)c1Cl.
What is the InChIKey of N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide?
The InChIKey is AYTQALDAIPVBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O5/c1-12(31)28-15-5-6-35-11-16(15)29-20-8-17-13(10-27-20)7-14(24(32)30(17)2)21-22(25)18(33-3)9-19(34-4)23(21)26/h7-10,15-16H,5-6,11H2,1-4H3,(H,27,29)(H,28,31).
What are the key properties of N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide?
N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide has a molecular weight of 521.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide is sourced from PubChem (CID 123735229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).