2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide

C26H26ClN7O2 — CID 90098852

IUPAC2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide
SMILESCOc1cncc2nc(-c3ccnc(NC(=O)Cc4cccc(Cl)c4)c3)nc(N3CCN(C)CC3)c12
InChIInChI=1S/C26H26ClN7O2/c1-33-8-10-34(11-9-33)26-24-20(15-28-16-21(24)36-2)30-25(32-26)18-6-7-29-22(14-18)31-23(35)13-17-4-3-5-19(27)12-17/h3-7,12,14-16H,8-11,13H2,1-2H3,(H,29,31,35)
InChIKeyDWOMQDJKAOUYMC-UHFFFAOYSA-N
MW503.99 g/mol
LogP3.68
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide

2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide (PubChem CID 90098852) has the molecular formula C26H26ClN7O2 and a molecular weight of 503.99 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide
PubChem CID90098852
Molecular FormulaC26H26ClN7O2
Molecular Weight503.99 g/mol
Exact Mass503.18
IUPAC Name2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide
SMILESCOc1cncc2nc(-c3ccnc(NC(=O)Cc4cccc(Cl)c4)c3)nc(N3CCN(C)CC3)c12
InChIInChI=1S/C26H26ClN7O2/c1-33-8-10-34(11-9-33)26-24-20(15-28-16-21(24)36-2)30-25(32-26)18-6-7-29-22(14-18)31-23(35)13-17-4-3-5-19(27)12-17/h3-7,12,14-16H,8-11,13H2,1-2H3,(H,29,31,35)
InChIKeyDWOMQDJKAOUYMC-UHFFFAOYSA-N
XLogP3.68
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.99
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110668062
(3S,4S)-1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4-diol
CID 90100014
4-(5-cyclopropyl-4-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
CID 90098755
2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide
CID 127120451
1,2-bis[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(5-methyl-3-pyridinyl)hydrazine
CID 90101013
4-[5-cyclopropyl-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]-N-phenylpyridin-2-amine
CID 90098503
N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide
CID 172570951
2-(3-bromophenyl)-N-(4-chloro-2-pyridinyl)acetamide
CID 115627297
tert-butyl 4-[5-cyclopropyl-2-[2-(2-fluoroanilino)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 86716694
tert-butyl (3R)-3-[[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 86716707
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888142
6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
CID 22997425

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide (CID 90098852) is 2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide is COc1cncc2nc(-c3ccnc(NC(=O)Cc4cccc(Cl)c4)c3)nc(N3CCN(C)CC3)c12.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is DWOMQDJKAOUYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7O2/c1-33-8-10-34(11-9-33)26-24-20(15-28-16-21(24)36-2)30-25(32-26)18-6-7-29-22(14-18)31-23(35)13-17-4-3-5-19(27)12-17/h3-7,12,14-16H,8-11,13H2,1-2H3,(H,29,31,35).
What are the key properties of 2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide?
2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 503.99 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-[5-methoxy-4-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 90098852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).