3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

C21H19N5O3 — CID 44783289

IUPAC3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(=O)Nc1cnc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2c1=O
InChIInChI=1S/C21H19N5O3/c1-13(27)25-18-11-24-19-7-6-15(12-26(19)21(18)29)20(28)22-9-8-14-10-23-17-5-3-2-4-16(14)17/h2-7,10-12,23H,8-9H2,1H3,(H,22,28)(H,25,27)
InChIKeyCVVVCPOGFNHDAU-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.11
Rot. Bonds5

About 3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 44783289) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID44783289
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(=O)Nc1cnc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2c1=O
InChIInChI=1S/C21H19N5O3/c1-13(27)25-18-11-24-19-7-6-15(12-26(19)21(18)29)20(28)22-9-8-14-10-23-17-5-3-2-4-16(14)17/h2-7,10-12,23H,8-9H2,1H3,(H,22,28)(H,25,27)
InChIKeyCVVVCPOGFNHDAU-UHFFFAOYSA-N
XLogP2.11
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50784758
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CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614640
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
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1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 91955063
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109261239
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766514
5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109193540
2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948149
5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (CID 44783289) is 3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is CC(=O)Nc1cnc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2c1=O.
What is the InChIKey of 3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is CVVVCPOGFNHDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13(27)25-18-11-24-19-7-6-15(12-26(19)21(18)29)20(28)22-9-8-14-10-23-17-5-3-2-4-16(14)17/h2-7,10-12,23H,8-9H2,1H3,(H,22,28)(H,25,27).
What are the key properties of 3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 44783289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).