8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C20H20N4O3 — CID 166201595

IUPAC8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cccc(CCNC(=O)c2cnc3cc(C)ccn3c2=O)c1
InChIInChI=1S/C20H20N4O3/c1-13-7-9-24-17(10-13)23-12-16(20(24)27)19(26)22-8-6-14-4-3-5-15(11-14)18(25)21-2/h3-5,7,9-12H,6,8H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyNRUUFFKBAJWHNI-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.34
Rot. Bonds5

About 8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 166201595) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID166201595
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cccc(CCNC(=O)c2cnc3cc(C)ccn3c2=O)c1
InChIInChI=1S/C20H20N4O3/c1-13-7-9-24-17(10-13)23-12-16(20(24)27)19(26)22-8-6-14-4-3-5-15(11-14)18(25)21-2/h3-5,7,9-12H,6,8H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyNRUUFFKBAJWHNI-UHFFFAOYSA-N
XLogP1.34
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115
N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119505266
8-methyl-N-[2-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120829490
N-[(1-hydroxycyclobutyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111445372
N-[(2S)-1-methoxypropan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 95132933
N-[2-(3-chlorophenyl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18114702
8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151352
4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47019141
4-hydrazinyl-6-methyl-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81245449
N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151354
N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 139003405
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 166201595) is 8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CNC(=O)c1cccc(CCNC(=O)c2cnc3cc(C)ccn3c2=O)c1.
What is the InChIKey of 8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NRUUFFKBAJWHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-7-9-24-17(10-13)23-12-16(20(24)27)19(26)22-8-6-14-4-3-5-15(11-14)18(25)21-2/h3-5,7,9-12H,6,8H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166201595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).