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

C24H26N4O3 — CID 95105106

IUPACN-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)cc1OC
InChIInChI=1S/C24H26N4O3/c1-30-21-10-9-19(14-22(21)31-2)27-24(29)18-8-11-23(26-15-18)28-13-12-25-20(16-28)17-6-4-3-5-7-17/h3-11,14-15,20,25H,12-13,16H2,1-2H3,(H,27,29)/t20-/m0/s1
InChIKeyNIQUEUYBZRQVQR-FQEVSTJZSA-N
MW418.50 g/mol
LogP3.50
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 95105106) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID95105106
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)cc1OC
InChIInChI=1S/C24H26N4O3/c1-30-21-10-9-19(14-22(21)31-2)27-24(29)18-8-11-23(26-15-18)28-13-12-25-20(16-28)17-6-4-3-5-7-17/h3-11,14-15,20,25H,12-13,16H2,1-2H3,(H,27,29)/t20-/m0/s1
InChIKeyNIQUEUYBZRQVQR-FQEVSTJZSA-N
XLogP3.50
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104932
N-(2-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104934
6-(3-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 53202881
1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 95105166
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
N-(2,3-dihydro-1H-inden-5-yl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104992
(4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105158
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180625
N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105402
6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 95105130
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104917

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide (CID 95105106) is N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is NIQUEUYBZRQVQR-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-30-21-10-9-19(14-22(21)31-2)27-24(29)18-8-11-23(26-15-18)28-13-12-25-20(16-28)17-6-4-3-5-7-17/h3-11,14-15,20,25H,12-13,16H2,1-2H3,(H,27,29)/t20-/m0/s1.
What are the key properties of N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95105106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).