N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide

C16H15N3O3 — CID 109180197

IUPACN-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(NC2CC2)cn1
InChIInChI=1S/C16H15N3O3/c20-16(13-5-3-12(8-17-13)18-10-1-2-10)19-11-4-6-14-15(7-11)22-9-21-14/h3-8,10,18H,1-2,9H2,(H,19,20)
InChIKeyGCYLBFPSHPYBMG-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.64
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide (PubChem CID 109180197) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide
PubChem CID109180197
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(NC2CC2)cn1
InChIInChI=1S/C16H15N3O3/c20-16(13-5-3-12(8-17-13)18-10-1-2-10)19-11-4-6-14-15(7-11)22-9-21-14/h3-8,10,18H,1-2,9H2,(H,19,20)
InChIKeyGCYLBFPSHPYBMG-UHFFFAOYSA-N
XLogP2.64
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198757
N-(3-acetamidophenyl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180174
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189807
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
5-(cyclohexylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109183218
N-(1,3-benzodioxol-5-yl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188826
5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179867
N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851815
5-(cyclohexylamino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109183205
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
5-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109190697
N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109198338

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide (CID 109180197) is N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(NC2CC2)cn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide?
The InChIKey is GCYLBFPSHPYBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-16(13-5-3-12(8-17-13)18-10-1-2-10)19-11-4-6-14-15(7-11)22-9-21-14/h3-8,10,18H,1-2,9H2,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109180197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).