N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide

C23H24Cl2N4O3 — CID 142380981

IUPACN-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide
SMILESCCCc1cc(OC)c(Cl)c(-c2cc3cnc(NC4COCC4NC=O)cc3cn2)c1Cl
InChIInChI=1S/C23H24Cl2N4O3/c1-3-4-13-6-19(31-2)23(25)21(22(13)24)16-5-14-9-27-20(7-15(14)8-26-16)29-18-11-32-10-17(18)28-12-30/h5-9,12,17-18H,3-4,10-11H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyCPNIXADMUMEFMC-UHFFFAOYSA-N
MW475.38 g/mol
LogP4.49
Rot. Bonds8

About N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide

N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide (PubChem CID 142380981) has the molecular formula C23H24Cl2N4O3 and a molecular weight of 475.38 g/mol. Its IUPAC name is N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide.

Molecular Properties

Compound NameN-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide
PubChem CID142380981
Molecular FormulaC23H24Cl2N4O3
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC NameN-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide
SMILESCCCc1cc(OC)c(Cl)c(-c2cc3cnc(NC4COCC4NC=O)cc3cn2)c1Cl
InChIInChI=1S/C23H24Cl2N4O3/c1-3-4-13-6-19(31-2)23(25)21(22(13)24)16-5-14-9-27-20(7-15(14)8-26-16)29-18-11-32-10-17(18)28-12-30/h5-9,12,17-18H,3-4,10-11H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyCPNIXADMUMEFMC-UHFFFAOYSA-N
XLogP4.49
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 54.49
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-[4-[[7-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]pyrrolidin-3-yl]formamide
CID 139395843
N-[(4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(ethylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 139451153
N-[(4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 167095572
1-[(3S,4R)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(ethylamino)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]but-3-en-2-one
CID 149454744
N-[3-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]amino]oxan-4-yl]formamide
CID 167095650
1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one
CID 157347525
N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(methanesulfonamido)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 139385168
1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one
CID 157315513
N-[(3R,4S)-4-[[6-(2-chloro-3,5-dimethoxy-6-methylphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 135179753
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)-6-methyl-5-oxo-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 139385460
1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-methylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one
CID 158110487

Frequently Asked Questions

What is the IUPAC name of N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide?
The IUPAC name of N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide (CID 142380981) is N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide.
What is the SMILES notation for N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide?
The canonical SMILES for N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide is CCCc1cc(OC)c(Cl)c(-c2cc3cnc(NC4COCC4NC=O)cc3cn2)c1Cl.
What is the InChIKey of N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide?
The InChIKey is CPNIXADMUMEFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O3/c1-3-4-13-6-19(31-2)23(25)21(22(13)24)16-5-14-9-27-20(7-15(14)8-26-16)29-18-11-32-10-17(18)28-12-30/h5-9,12,17-18H,3-4,10-11H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide?
N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide has a molecular weight of 475.38 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[7-(2,6-dichloro-3-methoxy-5-propylphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]formamide is sourced from PubChem (CID 142380981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).