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

C27H32N4O2 — CID 95307862

IUPACN-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide
SMILESC[C@@H](Oc1ccc(C(=O)NCCN2CCN(C)C[C@@H]2c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C27H32N4O2/c1-21(22-9-5-3-6-10-22)33-26-14-13-24(19-29-26)27(32)28-15-16-31-18-17-30(2)20-25(31)23-11-7-4-8-12-23/h3-14,19,21,25H,15-18,20H2,1-2H3,(H,28,32)/t21-,25-/m1/s1
InChIKeyXAQUWSHPQWWRIG-PXDATVDWSA-N
MW444.58 g/mol
LogP3.94
Rot. Bonds8

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

N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide (PubChem CID 95307862) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide
PubChem CID95307862
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide
SMILESC[C@@H](Oc1ccc(C(=O)NCCN2CCN(C)C[C@@H]2c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C27H32N4O2/c1-21(22-9-5-3-6-10-22)33-26-14-13-24(19-29-26)27(32)28-15-16-31-18-17-30(2)20-25(31)23-11-7-4-8-12-23/h3-14,19,21,25H,15-18,20H2,1-2H3,(H,28,32)/t21-,25-/m1/s1
InChIKeyXAQUWSHPQWWRIG-PXDATVDWSA-N
XLogP3.94
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 51964432
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
5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 42958850
(2R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 124810432
5-chloro-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51964590
2-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 47028501
N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 33403212
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide
CID 95151089
(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
CID 124813932
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide (CID 95307862) is N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide is C[C@@H](Oc1ccc(C(=O)NCCN2CCN(C)C[C@@H]2c2ccccc2)cn1)c1ccccc1.
What is the InChIKey of N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide?
The InChIKey is XAQUWSHPQWWRIG-PXDATVDWSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-21(22-9-5-3-6-10-22)33-26-14-13-24(19-29-26)27(32)28-15-16-31-18-17-30(2)20-25(31)23-11-7-4-8-12-23/h3-14,19,21,25H,15-18,20H2,1-2H3,(H,28,32)/t21-,25-/m1/s1.
What are the key properties of N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide?
N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide is sourced from PubChem (CID 95307862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).