5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide

C24H23ClN6O3 — CID 71510357

IUPAC5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2c(C)c(Cl)cc(C(C)n3ccc(=O)c4c(N)ncnc43)c2OC)cn1
InChIInChI=1S/C24H23ClN6O3/c1-12-16(25)9-15(13(2)31-8-7-18(32)20-22(26)29-11-30-23(20)31)21(34-4)19(12)14-5-6-17(28-10-14)24(33)27-3/h5-11,13H,1-4H3,(H,27,33)(H2,26,29,30)
InChIKeyKBNSWEWQWKDWCH-UHFFFAOYSA-N
MW478.94 g/mol
LogP3.38
Rot. Bonds5

About 5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide

5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide (PubChem CID 71510357) has the molecular formula C24H23ClN6O3 and a molecular weight of 478.94 g/mol. Its IUPAC name is 5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide
PubChem CID71510357
Molecular FormulaC24H23ClN6O3
Molecular Weight478.94 g/mol
Exact Mass478.15
IUPAC Name5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2c(C)c(Cl)cc(C(C)n3ccc(=O)c4c(N)ncnc43)c2OC)cn1
InChIInChI=1S/C24H23ClN6O3/c1-12-16(25)9-15(13(2)31-8-7-18(32)20-22(26)29-11-30-23(20)31)21(34-4)19(12)14-5-6-17(28-10-14)24(33)27-3/h5-11,13H,1-4H3,(H,27,33)(H2,26,29,30)
InChIKeyKBNSWEWQWKDWCH-UHFFFAOYSA-N
XLogP3.38
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide 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 5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide (CID 71510357) is 5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2c(C)c(Cl)cc(C(C)n3ccc(=O)c4c(N)ncnc43)c2OC)cn1.
What is the InChIKey of 5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is KBNSWEWQWKDWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O3/c1-12-16(25)9-15(13(2)31-8-7-18(32)20-22(26)29-11-30-23(20)31)21(34-4)19(12)14-5-6-17(28-10-14)24(33)27-3/h5-11,13H,1-4H3,(H,27,33)(H2,26,29,30).
What are the key properties of 5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide?
5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 478.94 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 71510357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).