6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide

C24H25N3O5 — CID 1432044

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Nc3ccc4c(c3)OCCO4)nc2)cc1OC
InChIInChI=1S/C24H25N3O5/c1-29-19-6-3-16(13-21(19)30-2)9-10-25-24(28)17-4-8-23(26-15-17)27-18-5-7-20-22(14-18)32-12-11-31-20/h3-8,13-15H,9-12H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyVHCIWENDYRWMNY-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.59
Rot. Bonds8

About 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide

6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 1432044) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID1432044
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Nc3ccc4c(c3)OCCO4)nc2)cc1OC
InChIInChI=1S/C24H25N3O5/c1-29-19-6-3-16(13-21(19)30-2)9-10-25-24(28)17-4-8-23(26-15-17)27-18-5-7-20-22(14-18)32-12-11-31-20/h3-8,13-15H,9-12H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyVHCIWENDYRWMNY-UHFFFAOYSA-N
XLogP3.59
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158733
6-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158969
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154509
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157207
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151811
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153751
N-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109157029
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38210357
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxylate
CID 31535174
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109159951

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide (CID 1432044) is 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(Nc3ccc4c(c3)OCCO4)nc2)cc1OC.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is VHCIWENDYRWMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-29-19-6-3-16(13-21(19)30-2)9-10-25-24(28)17-4-8-23(26-15-17)27-18-5-7-20-22(14-18)32-12-11-31-20/h3-8,13-15H,9-12H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide?
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 1432044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).