2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide

C18H18N4O3 — CID 71708256

IUPAC2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1c(C)nc2ncccc2c1=O
InChIInChI=1S/C18H18N4O3/c1-12-21-16-14(7-5-9-19-16)18(24)22(12)11-10-20-17(23)13-6-3-4-8-15(13)25-2/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyXDLFJNQUIFHRDN-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.54
Rot. Bonds5

About 2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide

2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide (PubChem CID 71708256) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide
PubChem CID71708256
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1c(C)nc2ncccc2c1=O
InChIInChI=1S/C18H18N4O3/c1-12-21-16-14(7-5-9-19-16)18(24)22(12)11-10-20-17(23)13-6-3-4-8-15(13)25-2/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyXDLFJNQUIFHRDN-UHFFFAOYSA-N
XLogP1.54
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
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2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
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2-methoxy-N-[2-[5-(naphthalen-1-ylmethyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 40908655
2-methoxy-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
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N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide
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N-isoquinolin-1-yl-2-methoxybenzamide
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2-methoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
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2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide (CID 71708256) is 2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide is COc1ccccc1C(=O)NCCn1c(C)nc2ncccc2c1=O.
What is the InChIKey of 2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide?
The InChIKey is XDLFJNQUIFHRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-21-16-14(7-5-9-19-16)18(24)22(12)11-10-20-17(23)13-6-3-4-8-15(13)25-2/h3-9H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide?
2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide has a molecular weight of 338.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide is sourced from PubChem (CID 71708256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).