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

C24H24N4O3 — CID 95105227

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C24H24N4O3/c29-24(26-18-9-10-21-22(15-18)31-14-13-30-21)19-7-4-8-23(27-19)28-12-11-25-20(16-28)17-5-2-1-3-6-17/h1-10,15,20,25H,11-14,16H2,(H,26,29)/t20-/m0/s1
InChIKeySAWLSLMWLQCYRC-FQEVSTJZSA-N
MW416.48 g/mol
LogP3.26
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide (PubChem CID 95105227) 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)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
PubChem CID95105227
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C24H24N4O3/c29-24(26-18-9-10-21-22(15-18)31-14-13-30-21)19-7-4-8-23(27-19)28-12-11-25-20(16-28)17-5-2-1-3-6-17/h1-10,15,20,25H,11-14,16H2,(H,26,29)/t20-/m0/s1
InChIKeySAWLSLMWLQCYRC-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104917
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
6-N-cyclopropyl-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide
CID 109093973
N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104932
N-(2,3-dihydro-1H-inden-5-yl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104992
ethyl 4-[6-[(3S)-3-phenylpiperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 95105244
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-[(3S)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
CID 95105352
[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 58207469
[2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 159888989
2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridine-2-carbonylamino)phenyl]oxamide
CID 3220639
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 20930304

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide (CID 95105227) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is SAWLSLMWLQCYRC-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-24(26-18-9-10-21-22(15-18)31-14-13-30-21)19-7-4-8-23(27-19)28-12-11-25-20(16-28)17-5-2-1-3-6-17/h1-10,15,20,25H,11-14,16H2,(H,26,29)/t20-/m0/s1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-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)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 95105227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).