N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H15N3O3 — CID 5310426

IUPACN-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H15N3O3/c1-23-14-7-3-2-6-12(14)10-19-16(21)13-11-18-15-8-4-5-9-20(15)17(13)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyBCTYZCCBCWNJNZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.63
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 5310426) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID5310426
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H15N3O3/c1-23-14-7-3-2-6-12(14)10-19-16(21)13-11-18-15-8-4-5-9-20(15)17(13)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyBCTYZCCBCWNJNZ-UHFFFAOYSA-N
XLogP1.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 5310426) is N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccccc1CNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BCTYZCCBCWNJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-14-7-3-2-6-12(14)10-19-16(21)13-11-18-15-8-4-5-9-20(15)17(13)22/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5310426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).