N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide

C21H19N3O5 — CID 109245661

IUPACN-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)c(OC)c1
InChIInChI=1S/C21H19N3O5/c1-26-16-4-5-17(19(9-16)27-2)23-15-7-13(10-22-11-15)21(25)24-14-3-6-18-20(8-14)29-12-28-18/h3-11,23H,12H2,1-2H3,(H,24,25)
InChIKeySRIPPNXYBCPLCJ-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.82
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide (PubChem CID 109245661) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide
PubChem CID109245661
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)c(OC)c1
InChIInChI=1S/C21H19N3O5/c1-26-16-4-5-17(19(9-16)27-2)23-15-7-13(10-22-11-15)21(25)24-14-3-6-18-20(8-14)29-12-28-18/h3-11,23H,12H2,1-2H3,(H,24,25)
InChIKeySRIPPNXYBCPLCJ-UHFFFAOYSA-N
XLogP3.82
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245269
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245363
5-(2,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245660
5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243459
5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243833
methyl 4-[[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109245974
5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109245515
5-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109245108
N-(1,3-benzodioxol-5-yl)-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109246164
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243805

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide (CID 109245661) is N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)c(OC)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is SRIPPNXYBCPLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-26-16-4-5-17(19(9-16)27-2)23-15-7-13(10-22-11-15)21(25)24-14-3-6-18-20(8-14)29-12-28-18/h3-11,23H,12H2,1-2H3,(H,24,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109245661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).