4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide

C27H31N3O2 — CID 53465165

IUPAC4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)N1CCC[C@H](CNC(=O)c2cc(Oc3ccc(-c4ccccc4)cc3)ccn2)C1
InChIInChI=1S/C27H31N3O2/c1-20(2)30-16-6-7-21(19-30)18-29-27(31)26-17-25(14-15-28-26)32-24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-15,17,20-21H,6-7,16,18-19H2,1-2H3,(H,29,31)/t21-/m1/s1
InChIKeyAOUFPXBGFYKOJI-OAQYLSRUSA-N
MW429.56 g/mol
LogP5.39
Rot. Bonds7

About 4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide

4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 53465165) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
PubChem CID53465165
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)N1CCC[C@H](CNC(=O)c2cc(Oc3ccc(-c4ccccc4)cc3)ccn2)C1
InChIInChI=1S/C27H31N3O2/c1-20(2)30-16-6-7-21(19-30)18-29-27(31)26-17-25(14-15-28-26)32-24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-15,17,20-21H,6-7,16,18-19H2,1-2H3,(H,29,31)/t21-/m1/s1
InChIKeyAOUFPXBGFYKOJI-OAQYLSRUSA-N
XLogP5.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
CID 53465164
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 53464585
4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 90649799
2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 94799467
2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 94800055
N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
CID 95977877
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 95598503
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 98763620
5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 95044733
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 56716281
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide (CID 53465165) is 4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide is CC(C)N1CCC[C@H](CNC(=O)c2cc(Oc3ccc(-c4ccccc4)cc3)ccn2)C1.
What is the InChIKey of 4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide?
The InChIKey is AOUFPXBGFYKOJI-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-20(2)30-16-6-7-21(19-30)18-29-27(31)26-17-25(14-15-28-26)32-24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-15,17,20-21H,6-7,16,18-19H2,1-2H3,(H,29,31)/t21-/m1/s1.
What are the key properties of 4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide?
4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 53465165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).