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

C19H16N4O2 — CID 16614640

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H16N4O2/c24-18(15-12-22-17-7-3-4-10-23(17)19(15)25)20-9-8-13-11-21-16-6-2-1-5-14(13)16/h1-7,10-12,21H,8-9H2,(H,20,24)
InChIKeyCOTIUPZFIOYMFN-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.15
Rot. Bonds4

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

N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16614640) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID16614640
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H16N4O2/c24-18(15-12-22-17-7-3-4-10-23(17)19(15)25)20-9-8-13-11-21-16-6-2-1-5-14(13)16/h1-7,10-12,21H,8-9H2,(H,20,24)
InChIKeyCOTIUPZFIOYMFN-UHFFFAOYSA-N
XLogP2.15
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 8003951
3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783289
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 107832706
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619624
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 74230811
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 16614640) is N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is COTIUPZFIOYMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-18(15-12-22-17-7-3-4-10-23(17)19(15)25)20-9-8-13-11-21-16-6-2-1-5-14(13)16/h1-7,10-12,21H,8-9H2,(H,20,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16614640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).