N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

C19H16N4O3 — CID 113012694

IUPACN-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(NCc2ccccn2)nc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N4O3/c24-19(13-4-6-16-17(9-13)26-12-25-16)23-15-5-7-18(22-11-15)21-10-14-3-1-2-8-20-14/h1-9,11H,10,12H2,(H,21,22)(H,23,24)
InChIKeyMQQDKQZRMQJLSX-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.07
Rot. Bonds5

About N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113012694) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
PubChem CID113012694
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(NCc2ccccn2)nc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N4O3/c24-19(13-4-6-16-17(9-13)26-12-25-16)23-15-5-7-18(22-11-15)21-10-14-3-1-2-8-20-14/h1-9,11H,10,12H2,(H,21,22)(H,23,24)
InChIKeyMQQDKQZRMQJLSX-UHFFFAOYSA-N
XLogP3.07
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113042002
4-tert-butyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012677
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171786
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 28902756
N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212927
2-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012661
N-[5-(3-phenylpropylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113029836
N-[6-(2-cyanoanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113022682
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113028205
N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113016484
N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158270
N-[6-(3-acetylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113020338

Frequently Asked Questions

What is the IUPAC name of N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (CID 113012694) is N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(NCc2ccccn2)nc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MQQDKQZRMQJLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-19(13-4-6-16-17(9-13)26-12-25-16)23-15-5-7-18(22-11-15)21-10-14-3-1-2-8-20-14/h1-9,11H,10,12H2,(H,21,22)(H,23,24).
What are the key properties of N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113012694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).