N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C25H20N4O3 — CID 126473562

IUPACN-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)nc1NCc1cccnc1
InChIInChI=1S/C25H20N4O3/c30-25(28-19-8-11-22-23(13-19)32-16-31-22)20-9-10-21(18-6-2-1-3-7-18)29-24(20)27-15-17-5-4-12-26-14-17/h1-14H,15-16H2,(H,27,29)(H,28,30)
InChIKeyRZSMFDNAWXEESJ-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.74
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 126473562) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID126473562
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)nc1NCc1cccnc1
InChIInChI=1S/C25H20N4O3/c30-25(28-19-8-11-22-23(13-19)32-16-31-22)20-9-10-21(18-6-2-1-3-7-18)29-24(20)27-15-17-5-4-12-26-14-17/h1-14H,15-16H2,(H,27,29)(H,28,30)
InChIKeyRZSMFDNAWXEESJ-UHFFFAOYSA-N
XLogP4.74
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213214
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329961
N-(1,1-dioxothiolan-3-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126471920
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide
CID 112982804
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 25031781
4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 81235040
2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-pyridin-3-ylpyrimidine-5-carboxamide
CID 46345686
N-(1,3-benzodioxol-5-yl)-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 3239696
N-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574949
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999581
N-(1,3-benzodioxol-5-ylmethyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109234571

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 126473562) is N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)nc1NCc1cccnc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is RZSMFDNAWXEESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-25(28-19-8-11-22-23(13-19)32-16-31-22)20-9-10-21(18-6-2-1-3-7-18)29-24(20)27-15-17-5-4-12-26-14-17/h1-14H,15-16H2,(H,27,29)(H,28,30).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 126473562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).