2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide

C19H21N3O3 — CID 47085753

IUPAC2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccnc(NC2CC2)c1
InChIInChI=1S/C19H21N3O3/c1-22(12-13-2-5-16-17(10-13)25-9-8-24-16)19(23)14-6-7-20-18(11-14)21-15-3-4-15/h2,5-7,10-11,15H,3-4,8-9,12H2,1H3,(H,20,21)
InChIKeyUJQRTRAWAPRQSF-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.70
Rot. Bonds5

About 2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide

2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide (PubChem CID 47085753) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide
PubChem CID47085753
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccnc(NC2CC2)c1
InChIInChI=1S/C19H21N3O3/c1-22(12-13-2-5-16-17(10-13)25-9-8-24-16)19(23)14-6-7-20-18(11-14)21-15-3-4-15/h2,5-7,10-11,15H,3-4,8-9,12H2,1H3,(H,20,21)
InChIKeyUJQRTRAWAPRQSF-UHFFFAOYSA-N
XLogP2.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide (CID 47085753) is 2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccnc(NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide?
The InChIKey is UJQRTRAWAPRQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22(12-13-2-5-16-17(10-13)25-9-8-24-16)19(23)14-6-7-20-18(11-14)21-15-3-4-15/h2,5-7,10-11,15H,3-4,8-9,12H2,1H3,(H,20,21).
What are the key properties of 2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide?
2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 47085753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).