2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide

C18H15ClN4O2 — CID 87050798

IUPAC2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(-c3cccnc3)nc2)cc1Cl
InChIInChI=1S/C18H15ClN4O2/c1-25-16-5-4-12(7-15(16)19)8-17(24)23-14-10-21-18(22-11-14)13-3-2-6-20-9-13/h2-7,9-11H,8H2,1H3,(H,23,24)
InChIKeyGDGZPXUAOIRLFW-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.38
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide

2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide (PubChem CID 87050798) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide
PubChem CID87050798
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(-c3cccnc3)nc2)cc1Cl
InChIInChI=1S/C18H15ClN4O2/c1-25-16-5-4-12(7-15(16)19)8-17(24)23-14-10-21-18(22-11-14)13-3-2-6-20-9-13/h2-7,9-11H,8H2,1H3,(H,23,24)
InChIKeyGDGZPXUAOIRLFW-UHFFFAOYSA-N
XLogP3.38
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 41
CID 5327888
3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide
CID 127047647
N-(2-(6-(3-chlorobenzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24830387
N-(2-(7-(3,4-dichlorobenzylamino)-3-(4-methoxyphenyl)-2-oxopyrido[4,3-b]pyrazin-1(2H)-yl)ethyl)acetamide
CID 24831822
N-(2-(2-(3,4-dichlorobenzylamino)-6-(4-methoxyphenyl)-7-oxopteridin-8(7H)-yl)ethyl)acetamide
CID 24970336
N-[2-[2-[(4-chloro-3-fluorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
CID 25094272
N-[2-[2-[(3-chloro-4-fluorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
CID 25094313
6-(4-Chlorophenyl)-8-[(3-methoxyphenyl)methyl]-2-piperazin-1-ylpteridin-7-one
CID 3233676
6-(4-Chlorophenyl)-2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
CID 3234506
6-(4-Chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one
CID 3234862
6-(3-Chlorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
CID 3235331
6-(3-Chlorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
CID 3235359

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide (CID 87050798) is 2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide is COc1ccc(CC(=O)Nc2cnc(-c3cccnc3)nc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide?
The InChIKey is GDGZPXUAOIRLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-25-16-5-4-12(7-15(16)19)8-17(24)23-14-10-21-18(22-11-14)13-3-2-6-20-9-13/h2-7,9-11H,8H2,1H3,(H,23,24).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide?
2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide has a molecular weight of 354.80 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-(2-pyridin-3-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 87050798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).