5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide

C21H19N3O4 — CID 109245515

IUPAC5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cncc(Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C21H19N3O4/c1-13-3-5-18(26-2)17(7-13)24-21(25)14-8-16(11-22-10-14)23-15-4-6-19-20(9-15)28-12-27-19/h3-11,23H,12H2,1-2H3,(H,24,25)
InChIKeyAIMAOPCMVLYGIP-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.12
Rot. Bonds5

About 5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide

5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide (PubChem CID 109245515) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
PubChem CID109245515
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cncc(Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C21H19N3O4/c1-13-3-5-18(26-2)17(7-13)24-21(25)14-8-16(11-22-10-14)23-15-4-6-19-20(9-15)28-12-27-19/h3-11,23H,12H2,1-2H3,(H,24,25)
InChIKeyAIMAOPCMVLYGIP-UHFFFAOYSA-N
XLogP4.12
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243868
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109243265
N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245661
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245269
5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109245401
methyl 4-[[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109245974
N-(2-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242131
N-(4-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109244246
N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109244574
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243048
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17460856

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide (CID 109245515) is 5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1cncc(Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The InChIKey is AIMAOPCMVLYGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13-3-5-18(26-2)17(7-13)24-21(25)14-8-16(11-22-10-14)23-15-4-6-19-20(9-15)28-12-27-19/h3-11,23H,12H2,1-2H3,(H,24,25).
What are the key properties of 5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109245515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).