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

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

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 9-methyl-4-oxo-N-propyl-
CID 3079293
2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458476
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458477
N-[3-(3,5-dimethylpiperidino)propyl]-4-hydroxy-2-keto-9-methyl-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853274
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-
CID 3079273
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-butyl-6-methyl-4-oxo-
CID 3079275
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 4-oxo-N-propyl-
CID 3079290
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 8-methyl-4-oxo-N-propyl-
CID 3079292
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-, monohydrochloride
CID 3079299
1-Allyl-N-ethyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 706411
N,1-Diethyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 706437
N-Ethyl-2-imino-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 706454

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).