N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide

C19H15N3O3 — CID 131701996

IUPACN-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1cncc(-c2cccnc2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N3O3/c23-19(14-3-4-17-18(7-14)25-12-24-17)22-9-13-6-16(11-21-8-13)15-2-1-5-20-10-15/h1-8,10-11H,9,12H2,(H,22,23)
InChIKeyJEGZBTFYFWKFJD-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.80
Rot. Bonds4

About N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 131701996) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID131701996
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1cncc(-c2cccnc2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N3O3/c23-19(14-3-4-17-18(7-14)25-12-24-17)22-9-13-6-16(11-21-8-13)15-2-1-5-20-10-15/h1-8,10-11H,9,12H2,(H,22,23)
InChIKeyJEGZBTFYFWKFJD-UHFFFAOYSA-N
XLogP2.80
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110317677
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
N-(1,3-benzodioxol-5-ylmethyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109234571
N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71801661
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 117085508
N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 16820219
N-[[4-(aminomethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 60918410
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
N-[(3-bromophenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 60739897
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide (CID 131701996) is N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide is O=C(NCc1cncc(-c2cccnc2)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is JEGZBTFYFWKFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-19(14-3-4-17-18(7-14)25-12-24-17)22-9-13-6-16(11-21-8-13)15-2-1-5-20-10-15/h1-8,10-11H,9,12H2,(H,22,23).
What are the key properties of N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 131701996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).