6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

C26H30N4O2 — CID 51964432

IUPAC6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESC[C@@H](Oc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cn1)c1ccccc1
InChIInChI=1S/C26H30N4O2/c1-21(22-8-4-2-5-9-22)32-25-13-12-23(20-28-25)26(31)27-14-15-29-16-18-30(19-17-29)24-10-6-3-7-11-24/h2-13,20-21H,14-19H2,1H3,(H,27,31)/t21-/m1/s1
InChIKeySUGUZSPWCONUQF-OAQYLSRUSA-N
MW430.55 g/mol
LogP3.77
Rot. Bonds8

About 6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 51964432) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID51964432
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESC[C@@H](Oc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cn1)c1ccccc1
InChIInChI=1S/C26H30N4O2/c1-21(22-8-4-2-5-9-22)32-25-13-12-23(20-28-25)26(31)27-14-15-29-16-18-30(19-17-29)24-10-6-3-7-11-24/h2-13,20-21H,14-19H2,1H3,(H,27,31)/t21-/m1/s1
InChIKeySUGUZSPWCONUQF-OAQYLSRUSA-N
XLogP3.77
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide
CID 95307862
6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 51956127
6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 47054518
6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 51956656
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide
CID 95151089
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222
2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
CID 46412846
1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 30885393
4-(5-methylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602275
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(1-phenylethoxy)pyridine-3-carboxamide
CID 47047407

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (CID 51964432) is 6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is C[C@@H](Oc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cn1)c1ccccc1.
What is the InChIKey of 6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is SUGUZSPWCONUQF-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-21(22-8-4-2-5-9-22)32-25-13-12-23(20-28-25)26(31)27-14-15-29-16-18-30(19-17-29)24-10-6-3-7-11-24/h2-13,20-21H,14-19H2,1H3,(H,27,31)/t21-/m1/s1.
What are the key properties of 6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 51964432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).