N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H25N5O2 — CID 46364469

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN1CCN(CCNC(=O)c2cnc3c(C)cccn3c2=O)CC1
InChIInChI=1S/C18H25N5O2/c1-3-21-9-11-22(12-10-21)8-6-19-17(24)15-13-20-16-14(2)5-4-7-23(16)18(15)25/h4-5,7,13H,3,6,8-12H2,1-2H3,(H,19,24)
InChIKeyKQAUTJRTSLSPKX-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.37
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 46364469) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID46364469
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN1CCN(CCNC(=O)c2cnc3c(C)cccn3c2=O)CC1
InChIInChI=1S/C18H25N5O2/c1-3-21-9-11-22(12-10-21)8-6-19-17(24)15-13-20-16-14(2)5-4-7-23(16)18(15)25/h4-5,7,13H,3,6,8-12H2,1-2H3,(H,19,24)
InChIKeyKQAUTJRTSLSPKX-UHFFFAOYSA-N
XLogP0.37
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 46364469) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCN1CCN(CCNC(=O)c2cnc3c(C)cccn3c2=O)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KQAUTJRTSLSPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-21-9-11-22(12-10-21)8-6-19-17(24)15-13-20-16-14(2)5-4-7-23(16)18(15)25/h4-5,7,13H,3,6,8-12H2,1-2H3,(H,19,24).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46364469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).