4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide

C14H13N3O3 — CID 61212473

IUPAC4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCc2cccc3c2OCO3)ccn1
InChIInChI=1S/C14H13N3O3/c15-14(18)11-6-10(4-5-16-11)17-7-9-2-1-3-12-13(9)20-8-19-12/h1-6H,7-8H2,(H2,15,18)(H,16,17)
InChIKeyATTBFRRTCZMTAO-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.52
Rot. Bonds4

About 4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide

4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 61212473) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID61212473
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCc2cccc3c2OCO3)ccn1
InChIInChI=1S/C14H13N3O3/c15-14(18)11-6-10(4-5-16-11)17-7-9-2-1-3-12-13(9)20-8-19-12/h1-6H,7-8H2,(H2,15,18)(H,16,17)
InChIKeyATTBFRRTCZMTAO-UHFFFAOYSA-N
XLogP1.52
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridin-4-amine
CID 106194181
2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide
CID 43695077
5-(1,3-benzodioxol-4-ylmethylamino)-2-hydroxybenzoic acid
CID 127031137
[3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol
CID 43714991
4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
CID 62228128
N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine
CID 43680230
N-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732597
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide
CID 61293674
N-(1,3-benzodioxol-4-ylmethyl)-1H-pyrazol-4-amine
CID 43583965
4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide
CID 104880016
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211697

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of 4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide (CID 61212473) is 4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for 4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide is NC(=O)c1cc(NCc2cccc3c2OCO3)ccn1.
What is the InChIKey of 4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is ATTBFRRTCZMTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-14(18)11-6-10(4-5-16-11)17-7-9-2-1-3-12-13(9)20-8-19-12/h1-6H,7-8H2,(H2,15,18)(H,16,17).
What are the key properties of 4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide?
4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 61212473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).