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

C18H17N3O3 — CID 90670947

IUPACN-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-12(13-6-8-14(24-2)9-7-13)20-17(22)15-11-19-16-5-3-4-10-21(16)18(15)23/h3-12H,1-2H3,(H,20,22)
InChIKeyVQSCKVOKFCLNNS-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.19
Rot. Bonds4

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

N-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 90670947) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID90670947
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-12(13-6-8-14(24-2)9-7-13)20-17(22)15-11-19-16-5-3-4-10-21(16)18(15)23/h3-12H,1-2H3,(H,20,22)
InChIKeyVQSCKVOKFCLNNS-UHFFFAOYSA-N
XLogP2.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 90670947) is N-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(C(C)NC(=O)c2cnc3ccccn3c2=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VQSCKVOKFCLNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(13-6-8-14(24-2)9-7-13)20-17(22)15-11-19-16-5-3-4-10-21(16)18(15)23/h3-12H,1-2H3,(H,20,22).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90670947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).