N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide

C24H20Cl2N4O3 — CID 139395826

IUPACN-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4c(C)cccc4NC=O)cc3cn2)c1Cl
InChIInChI=1S/C24H20Cl2N4O3/c1-13-5-4-6-16(29-12-31)24(13)30-20-8-15-10-27-17(7-14(15)11-28-20)21-22(25)18(32-2)9-19(33-3)23(21)26/h4-12H,1-3H3,(H,28,30)(H,29,31)
InChIKeyOSRMZBMZUZMWQE-UHFFFAOYSA-N
MW483.36 g/mol
LogP6.24
Rot. Bonds7

About N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide

N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide (PubChem CID 139395826) has the molecular formula C24H20Cl2N4O3 and a molecular weight of 483.36 g/mol. Its IUPAC name is N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide.

Molecular Properties

Compound NameN-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide
PubChem CID139395826
Molecular FormulaC24H20Cl2N4O3
Molecular Weight483.36 g/mol
Exact Mass482.09
IUPAC NameN-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4c(C)cccc4NC=O)cc3cn2)c1Cl
InChIInChI=1S/C24H20Cl2N4O3/c1-13-5-4-6-16(29-12-31)24(13)30-20-8-15-10-27-17(7-14(15)11-28-20)21-22(25)18(32-2)9-19(33-3)23(21)26/h4-12H,1-3H3,(H,28,30)(H,29,31)
InChIKeyOSRMZBMZUZMWQE-UHFFFAOYSA-N
XLogP6.24
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.36
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)thieno[3,2-c]pyridin-6-yl]amino]-3-methylphenyl]formamide;prop-1-ene
CID 142381524
N-[2-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-3-(2-methoxyethyl)-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-3-methylphenyl]formamide
CID 142381067
N-[2-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]-3-methylphenyl]formamide
CID 139395764
2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[2-(ethenylamino)-6-methylanilino]-2,6-naphthyridin-1-yl]amino]ethanol
CID 167095618
1-N-(cyclopentylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-(ethenylamino)-6-methylphenyl]-2,6-naphthyridine-1,7-diamine
CID 167095624
1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine
CID 142380892
N-[2-[[6-(2,6-dichloro-3-methoxyphenyl)-8-[(3,3-difluorocyclobutyl)amino]pyrido[3,4-d]pyrimidin-2-yl]amino]-3-methylphenyl]formamide
CID 139395987
N-[2-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxo-3H-pyrido[3,4-d]pyrimidin-6-yl]amino]-3-methylphenyl]prop-2-enamide
CID 137289318
N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[[1-(1,1-dimethoxyethyl)pyrazol-4-yl]methylamino]-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]prop-2-enamide
CID 139451130
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2-hydroxyethylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]-3-methylphenyl]acetamide
CID 139456510
1-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethoxypyrido[3,4-d]pyrimidin-2-yl]amino]-3-methylphenyl]but-3-en-2-one
CID 161436783
3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
CID 135181041

Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide?
The IUPAC name of N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide (CID 139395826) is N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide.
What is the SMILES notation for N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide?
The canonical SMILES for N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide is COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4c(C)cccc4NC=O)cc3cn2)c1Cl.
What is the InChIKey of N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide?
The InChIKey is OSRMZBMZUZMWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O3/c1-13-5-4-6-16(29-12-31)24(13)30-20-8-15-10-27-17(7-14(15)11-28-20)21-22(25)18(32-2)9-19(33-3)23(21)26/h4-12H,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide?
N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide has a molecular weight of 483.36 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]formamide is sourced from PubChem (CID 139395826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).