N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide

C14H12N2O3 — CID 2089022

IUPACN-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
SMILESC1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=NC=C3
InChIInChI=1S/C14H12N2O3/c17-14(11-3-5-15-6-4-11)16-8-10-1-2-12-13(7-10)19-9-18-12/h1-7H,8-9H2,(H,16,17)
InChIKeyUQVOTJYRANFENB-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.60
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 2089022) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID2089022
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
SMILESC1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=NC=C3
InChIInChI=1S/C14H12N2O3/c17-14(11-3-5-15-6-4-11)16-8-10-1-2-12-13(7-10)19-9-18-12/h1-7H,8-9H2,(H,16,17)
InChIKeyUQVOTJYRANFENB-UHFFFAOYSA-N
XLogP1.60
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity318

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Verazide
CID 9574235
N-(2-Pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 591105
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-3-pyridinecarboxamide
CID 2161595
N-(3-(4-(piperonyl)piperazin-1-yl)propyl) isonicotinamide
CID 127027739
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 127041966
N-(4-methylpyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 1116221
[2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2433163
[2-[2-(3,4-Diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
CID 2477265
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 3413292
(E)-3-(1,3-benzodioxol-5-yl)-1-pyridin-2-ylprop-2-en-1-one
CID 5717398
N-[3-(3,4-Dimethoxy-benzoylamino)-propyl]-nicotinamide
CID 6456930

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide (CID 2089022) is N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide is C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=NC=C3.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is UQVOTJYRANFENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-14(11-3-5-15-6-4-11)16-8-10-1-2-12-13(7-10)19-9-18-12/h1-7H,8-9H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 2089022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).