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

C30H23Cl2N5O3 — CID 177374704

IUPACN-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1cc2c(-c3cccnc3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
InChIInChI=1S/C30H23Cl2N5O3/c1-4-26(38)36-21-10-6-5-9-20(21)35-25-13-19-18(16-34-25)12-22(37-30(19)17-8-7-11-33-15-17)27-28(31)23(39-2)14-24(40-3)29(27)32/h4-16H,1H2,2-3H3,(H,34,35)(H,36,38)
InChIKeyBXWBKWVCJFLYCC-UHFFFAOYSA-N
MW572.45 g/mol
LogP7.55
Rot. Bonds8

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

N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide (PubChem CID 177374704) has the molecular formula C30H23Cl2N5O3 and a molecular weight of 572.45 g/mol. Its IUPAC name is N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide
PubChem CID177374704
Molecular FormulaC30H23Cl2N5O3
Molecular Weight572.45 g/mol
Exact Mass571.12
IUPAC NameN-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1cc2c(-c3cccnc3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
InChIInChI=1S/C30H23Cl2N5O3/c1-4-26(38)36-21-10-6-5-9-20(21)35-25-13-19-18(16-34-25)12-22(37-30(19)17-8-7-11-33-15-17)27-28(31)23(39-2)14-24(40-3)29(27)32/h4-16H,1H2,2-3H3,(H,34,35)(H,36,38)
InChIKeyBXWBKWVCJFLYCC-UHFFFAOYSA-N
XLogP7.55
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.45
LogP ≤ 57.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide (CID 177374704) is N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1Nc1cc2c(-c3cccnc3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.
What is the InChIKey of N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide?
The InChIKey is BXWBKWVCJFLYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23Cl2N5O3/c1-4-26(38)36-21-10-6-5-9-20(21)35-25-13-19-18(16-34-25)12-22(37-30(19)17-8-7-11-33-15-17)27-28(31)23(39-2)14-24(40-3)29(27)32/h4-16H,1H2,2-3H3,(H,34,35)(H,36,38).
What are the key properties of N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide?
N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide has a molecular weight of 572.45 g/mol, XLogP of 7.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 177374704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).