N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide

C25H26ClN5O4 — CID 143881146

IUPACN-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCOCCNc1ncc2cc(-c3cc(NC(=O)C4=CC=CC(C)C4)ccc3Cl)c(=O)n(OC)c2n1
InChIInChI=1S/C25H26ClN5O4/c1-15-5-4-6-16(11-15)23(32)29-18-7-8-21(26)19(13-18)20-12-17-14-28-25(27-9-10-34-2)30-22(17)31(35-3)24(20)33/h4-8,12-15H,9-11H2,1-3H3,(H,29,32)(H,27,28,30)
InChIKeyCQOXDJDTZPJYIC-UHFFFAOYSA-N
MW495.97 g/mol
LogP3.69
Rot. Bonds8

About N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide

N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 143881146) has the molecular formula C25H26ClN5O4 and a molecular weight of 495.97 g/mol. Its IUPAC name is N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID143881146
Molecular FormulaC25H26ClN5O4
Molecular Weight495.97 g/mol
Exact Mass495.17
IUPAC NameN-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCOCCNc1ncc2cc(-c3cc(NC(=O)C4=CC=CC(C)C4)ccc3Cl)c(=O)n(OC)c2n1
InChIInChI=1S/C25H26ClN5O4/c1-15-5-4-6-16(11-15)23(32)29-18-7-8-21(26)19(13-18)20-12-17-14-28-25(27-9-10-34-2)30-22(17)31(35-3)24(20)33/h4-8,12-15H,9-11H2,1-3H3,(H,29,32)(H,27,28,30)
InChIKeyCQOXDJDTZPJYIC-UHFFFAOYSA-N
XLogP3.69
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.97
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide with MolForge

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Related Compounds

4-chloro-N-[4-chloro-3-[2-[2-(dimethylamino)ethylamino]-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-hydroxybenzamide
CID 70960629
N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-3-(trifluoromethyl)benzamide
CID 24936955
N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide
CID 24936831
3-chloro-4-[2-[2-(dimethylamino)ethylamino]-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide;N-[3-chloro-4-[2-[2-(dimethylamino)ethylamino]-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 87649714
2-[4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 67334505
6-(2,6-dichlorophenyl)-2-[4-[(3-hydroxyazetidin-1-yl)methyl]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 58395672
6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 24938205
6-(2,6-dichlorophenyl)-2-[4-(hydroxyiminomethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 76775743
6-(2,6-dichlorophenyl)-8-(2-methoxyethoxy)-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 58395665
6-(2,6-dichlorophenyl)-8-methoxy-2-[4-(2-oxo-5-pyrrolidin-1-ylpentyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 58395649
4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzonitrile
CID 58395637
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364786

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide (CID 143881146) is N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide is COCCNc1ncc2cc(-c3cc(NC(=O)C4=CC=CC(C)C4)ccc3Cl)c(=O)n(OC)c2n1.
What is the InChIKey of N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is CQOXDJDTZPJYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O4/c1-15-5-4-6-16(11-15)23(32)29-18-7-8-21(26)19(13-18)20-12-17-14-28-25(27-9-10-34-2)30-22(17)31(35-3)24(20)33/h4-8,12-15H,9-11H2,1-3H3,(H,29,32)(H,27,28,30).
What are the key properties of N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide?
N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 495.97 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[8-methoxy-2-(2-methoxyethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 143881146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).