N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide

C24H24N4O3 — CID 95104917

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C24H24N4O3/c29-24(27-19-6-7-21-22(15-19)31-13-12-30-21)18-8-9-26-23(14-18)28-11-10-25-20(16-28)17-4-2-1-3-5-17/h1-9,14-15,20,25H,10-13,16H2,(H,27,29)/t20-/m0/s1
InChIKeyOTKNUSGXGANJGJ-FQEVSTJZSA-N
MW416.48 g/mol
LogP3.26
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (PubChem CID 95104917) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
PubChem CID95104917
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C24H24N4O3/c29-24(27-19-6-7-21-22(15-19)31-13-12-30-21)18-8-9-26-23(14-18)28-11-10-25-20(16-28)17-4-2-1-3-5-17/h1-9,14-15,20,25H,10-13,16H2,(H,27,29)/t20-/m0/s1
InChIKeyOTKNUSGXGANJGJ-FQEVSTJZSA-N
XLogP3.26
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
CID 95105227
N-(2,3-dihydro-1H-inden-5-yl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104992
N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104932
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929
N-(2-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104934
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104938
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105024
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105030

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (CID 95104917) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is OTKNUSGXGANJGJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-24(27-19-6-7-21-22(15-19)31-13-12-30-21)18-8-9-26-23(14-18)28-11-10-25-20(16-28)17-4-2-1-3-5-17/h1-9,14-15,20,25H,10-13,16H2,(H,27,29)/t20-/m0/s1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95104917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).