N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide

C21H25N5O2 — CID 55964795

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESCCN(CC)c1ccc(CNC(=O)CCn2ncc(=O)c3ccccc32)cn1
InChIInChI=1S/C21H25N5O2/c1-3-25(4-2)20-10-9-16(13-22-20)14-23-21(28)11-12-26-18-8-6-5-7-17(18)19(27)15-24-26/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,23,28)
InChIKeyIQCRIMCIMKWVJQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.34
Rot. Bonds8

About N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide

N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 55964795) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID55964795
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESCCN(CC)c1ccc(CNC(=O)CCn2ncc(=O)c3ccccc32)cn1
InChIInChI=1S/C21H25N5O2/c1-3-25(4-2)20-10-9-16(13-22-20)14-23-21(28)11-12-26-18-8-6-5-7-17(18)19(27)15-24-26/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,23,28)
InChIKeyIQCRIMCIMKWVJQ-UHFFFAOYSA-N
XLogP2.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292
N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 110922929
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
CID 119846342
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444259
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 17490457
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 86925824
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 94096632

Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide (CID 55964795) is N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide is CCN(CC)c1ccc(CNC(=O)CCn2ncc(=O)c3ccccc32)cn1.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is IQCRIMCIMKWVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-25(4-2)20-10-9-16(13-22-20)14-23-21(28)11-12-26-18-8-6-5-7-17(18)19(27)15-24-26/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,23,28).
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 379.46 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 55964795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).