N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H16N4O2 — CID 51098182

IUPACN-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCn1ccc2cc(NC(=O)c3cnc4ccccn4c3=O)ccc21
InChIInChI=1S/C19H16N4O2/c1-2-22-10-8-13-11-14(6-7-16(13)22)21-18(24)15-12-20-17-5-3-4-9-23(17)19(15)25/h3-12H,2H2,1H3,(H,21,24)
InChIKeyUQLHJIBTDNUFSL-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.92
Rot. Bonds3

About N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51098182) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID51098182
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCn1ccc2cc(NC(=O)c3cnc4ccccn4c3=O)ccc21
InChIInChI=1S/C19H16N4O2/c1-2-22-10-8-13-11-14(6-7-16(13)22)21-18(24)15-12-20-17-5-3-4-9-23(17)19(15)25/h3-12H,2H2,1H3,(H,21,24)
InChIKeyUQLHJIBTDNUFSL-UHFFFAOYSA-N
XLogP2.92
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791
N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878677
N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24675352
propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
CID 51329815
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134044102
N-(4-amino-3,5-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16621733
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335421
N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3237844
N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575307
N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878675
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51098182) is N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCn1ccc2cc(NC(=O)c3cnc4ccccn4c3=O)ccc21.
What is the InChIKey of N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UQLHJIBTDNUFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-2-22-10-8-13-11-14(6-7-16(13)22)21-18(24)15-12-20-17-5-3-4-9-23(17)19(15)25/h3-12H,2H2,1H3,(H,21,24).
What are the key properties of N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51098182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).