methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate

C15H17N3O4 — CID 113020119

IUPACmethyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C15H17N3O4/c1-20-12-6-4-10(8-13(12)21-2)17-14-7-5-11(9-16-14)18-15(19)22-3/h4-9H,1-3H3,(H,16,17)(H,18,19)
InChIKeyKHDSDZQUEPSMCY-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.02
Rot. Bonds5

About methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate

methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate (PubChem CID 113020119) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
PubChem CID113020119
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C15H17N3O4/c1-20-12-6-4-10(8-13(12)21-2)17-14-7-5-11(9-16-14)18-15(19)22-3/h4-9H,1-3H3,(H,16,17)(H,18,19)
InChIKeyKHDSDZQUEPSMCY-UHFFFAOYSA-N
XLogP3.02
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
CID 113020075
methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113020114
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019008
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034745
5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 66218090
methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate
CID 113021680
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate (CID 113020119) is methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate is COC(=O)Nc1ccc(Nc2ccc(OC)c(OC)c2)nc1.
What is the InChIKey of methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate?
The InChIKey is KHDSDZQUEPSMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-20-12-6-4-10(8-13(12)21-2)17-14-7-5-11(9-16-14)18-15(19)22-3/h4-9H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate?
methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate has a molecular weight of 303.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113020119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).