N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide

C27H21N5O2 — CID 44527967

IUPACN-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(NC(=O)c4ccccc4)cc3)c3c(N)ncnc3n2)c1
InChIInChI=1S/C27H21N5O2/c1-34-21-9-5-8-19(14-21)23-15-22(24-25(28)29-16-30-26(24)32-23)17-10-12-20(13-11-17)31-27(33)18-6-3-2-4-7-18/h2-16H,1H3,(H,31,33)(H2,28,29,30,32)
InChIKeyCRLAGALNEPTVIK-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.20
Rot. Bonds5

About N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide

N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide (PubChem CID 44527967) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide
PubChem CID44527967
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC NameN-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(NC(=O)c4ccccc4)cc3)c3c(N)ncnc3n2)c1
InChIInChI=1S/C27H21N5O2/c1-34-21-9-5-8-19(14-21)23-15-22(24-25(28)29-16-30-26(24)32-23)17-10-12-20(13-11-17)31-27(33)18-6-3-2-4-7-18/h2-16H,1H3,(H,31,33)(H2,28,29,30,32)
InChIKeyCRLAGALNEPTVIK-UHFFFAOYSA-N
XLogP5.20
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide?
The IUPAC name of N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide (CID 44527967) is N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide is COc1cccc(-c2cc(-c3ccc(NC(=O)c4ccccc4)cc3)c3c(N)ncnc3n2)c1.
What is the InChIKey of N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide?
The InChIKey is CRLAGALNEPTVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2/c1-34-21-9-5-8-19(14-21)23-15-22(24-25(28)29-16-30-26(24)32-23)17-10-12-20(13-11-17)31-27(33)18-6-3-2-4-7-18/h2-16H,1H3,(H,31,33)(H2,28,29,30,32).
What are the key properties of N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide?
N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide has a molecular weight of 447.50 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-5-yl]phenyl]benzamide is sourced from PubChem (CID 44527967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).