methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate

C15H15N3O4 — CID 113021680

IUPACmethyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C15H15N3O4/c1-20-15(19)18-11-3-5-14(16-9-11)17-10-2-4-12-13(8-10)22-7-6-21-12/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyNKJDUGASBNQQSZ-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.77
Rot. Bonds3

About methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate

methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate (PubChem CID 113021680) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate
PubChem CID113021680
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Namemethyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C15H15N3O4/c1-20-15(19)18-11-3-5-14(16-9-11)17-10-2-4-12-13(8-10)22-7-6-21-12/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyNKJDUGASBNQQSZ-UHFFFAOYSA-N
XLogP2.77
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate
CID 112989260
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxylate
CID 31535174
methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113020119
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluoroanilino)pyridine-3-carboxamide
CID 109163283
methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019008
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157207
ethyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carboxylate
CID 32800817
N-(5-acetamido-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 166209984
5-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-4-carboxylic acid
CID 114919156

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate (CID 113021680) is methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate is COC(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)nc1.
What is the InChIKey of methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate?
The InChIKey is NKJDUGASBNQQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-20-15(19)18-11-3-5-14(16-9-11)17-10-2-4-12-13(8-10)22-7-6-21-12/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate?
methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate has a molecular weight of 301.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113021680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).