N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide

C28H24Cl2N4O3 — CID 177374702

IUPACN-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1cc2c(C3CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
InChIInChI=1S/C28H24Cl2N4O3/c1-4-24(35)33-19-8-6-5-7-18(19)32-23-12-17-16(14-31-23)11-20(34-28(17)15-9-10-15)25-26(29)21(36-2)13-22(37-3)27(25)30/h4-8,11-15H,1,9-10H2,2-3H3,(H,31,32)(H,33,35)
InChIKeyQXWOKLIZODHOMT-UHFFFAOYSA-N
MW535.43 g/mol
LogP7.37
Rot. Bonds8

About N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide

N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide (PubChem CID 177374702) has the molecular formula C28H24Cl2N4O3 and a molecular weight of 535.43 g/mol. Its IUPAC name is N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide
PubChem CID177374702
Molecular FormulaC28H24Cl2N4O3
Molecular Weight535.43 g/mol
Exact Mass534.12
IUPAC NameN-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1cc2c(C3CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
InChIInChI=1S/C28H24Cl2N4O3/c1-4-24(35)33-19-8-6-5-7-18(19)32-23-12-17-16(14-31-23)11-20(34-28(17)15-9-10-15)25-26(29)21(36-2)13-22(37-3)27(25)30/h4-8,11-15H,1,9-10H2,2-3H3,(H,31,32)(H,33,35)
InChIKeyQXWOKLIZODHOMT-UHFFFAOYSA-N
XLogP7.37
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.43
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide (CID 177374702) is N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1Nc1cc2c(C3CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.
What is the InChIKey of N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide?
The InChIKey is QXWOKLIZODHOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4O3/c1-4-24(35)33-19-8-6-5-7-18(19)32-23-12-17-16(14-31-23)11-20(34-28(17)15-9-10-15)25-26(29)21(36-2)13-22(37-3)27(25)30/h4-8,11-15H,1,9-10H2,2-3H3,(H,31,32)(H,33,35).
What are the key properties of N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide?
N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide has a molecular weight of 535.43 g/mol, XLogP of 7.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-cyclopropyl-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 177374702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).