N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide

C27H31N3O2 — CID 44526978

IUPACN-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)c1cccc(OCC2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)CC2)c1
InChIInChI=1S/C27H31N3O2/c1-20(2)22-7-6-10-25(17-22)32-19-21-13-15-30(16-14-21)26-12-11-23(18-28-26)27(31)29-24-8-4-3-5-9-24/h3-12,17-18,20-21H,13-16,19H2,1-2H3,(H,29,31)
InChIKeyFISRMXPVVKZAND-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.75
Rot. Bonds7

About N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide

N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 44526978) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID44526978
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)c1cccc(OCC2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)CC2)c1
InChIInChI=1S/C27H31N3O2/c1-20(2)22-7-6-10-25(17-22)32-19-21-13-15-30(16-14-21)26-12-11-23(18-28-26)27(31)29-24-8-4-3-5-9-24/h3-12,17-18,20-21H,13-16,19H2,1-2H3,(H,29,31)
InChIKeyFISRMXPVVKZAND-UHFFFAOYSA-N
XLogP5.75
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 ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 44526978) is N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is CC(C)c1cccc(OCC2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)CC2)c1.
What is the InChIKey of N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is FISRMXPVVKZAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-20(2)22-7-6-10-25(17-22)32-19-21-13-15-30(16-14-21)26-12-11-23(18-28-26)27(31)29-24-8-4-3-5-9-24/h3-12,17-18,20-21H,13-16,19H2,1-2H3,(H,29,31).
What are the key properties of N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44526978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).