3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide

C28H31N5O3 — CID 59589752

IUPAC3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide
SMILESCCN(CC)CCC(=O)Nc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1
InChIInChI=1S/C28H31N5O3/c1-3-32(4-2)14-13-28(34)29-22-8-5-7-20(17-22)18-26-30-27-10-6-9-23(33(27)31-26)21-11-12-24-25(19-21)36-16-15-35-24/h5-12,17,19H,3-4,13-16,18H2,1-2H3,(H,29,34)
InChIKeyRHEOCCDTERGBID-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.43
Rot. Bonds9

About 3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide

3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide (PubChem CID 59589752) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide
PubChem CID59589752
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide
SMILESCCN(CC)CCC(=O)Nc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1
InChIInChI=1S/C28H31N5O3/c1-3-32(4-2)14-13-28(34)29-22-8-5-7-20(17-22)18-26-30-27-10-6-9-23(33(27)31-26)21-11-12-24-25(19-21)36-16-15-35-24/h5-12,17,19H,3-4,13-16,18H2,1-2H3,(H,29,34)
InChIKeyRHEOCCDTERGBID-UHFFFAOYSA-N
XLogP4.43
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide with MolForge

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Related Compounds

5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
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3-[(8,9-Dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propyl-diethyl-amine
CID 6622924
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
8,9-dimethoxy-N-(3-methoxypropyl)-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010874
2-[5,7-dimethyl-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 118731294
2-[5,7-dimethyl-2-[4-(2-phenylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 118731301
4-(3-(3,4-Dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4906449
3,4-dimethoxy-N-(3-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}phenyl)benzamide
CID 7217791
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3797260
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 6619702
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3842722
3-(3,4-Dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholinoethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4904109

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide?
The IUPAC name of 3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide (CID 59589752) is 3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide.
What is the SMILES notation for 3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide?
The canonical SMILES for 3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide is CCN(CC)CCC(=O)Nc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1.
What is the InChIKey of 3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide?
The InChIKey is RHEOCCDTERGBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-3-32(4-2)14-13-28(34)29-22-8-5-7-20(17-22)18-26-30-27-10-6-9-23(33(27)31-26)21-11-12-24-25(19-21)36-16-15-35-24/h5-12,17,19H,3-4,13-16,18H2,1-2H3,(H,29,34).
What are the key properties of 3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide?
3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide has a molecular weight of 485.59 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propanamide is sourced from PubChem (CID 59589752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).