N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide

C22H26FN3O2 — CID 56748583

IUPACN-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(N2CCCC(CO)(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C22H26FN3O2/c23-18-4-2-16(3-5-18)13-22(15-27)9-1-11-26(14-22)20-12-17(8-10-24-20)21(28)25-19-6-7-19/h2-5,8,10,12,19,27H,1,6-7,9,11,13-15H2,(H,25,28)
InChIKeyBUGXUJJFJMVAFR-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.93
Rot. Bonds6

About N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide

N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 56748583) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide
PubChem CID56748583
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(N2CCCC(CO)(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C22H26FN3O2/c23-18-4-2-16(3-5-18)13-22(15-27)9-1-11-26(14-22)20-12-17(8-10-24-20)21(28)25-19-6-7-19/h2-5,8,10,12,19,27H,1,6-7,9,11,13-15H2,(H,25,28)
InChIKeyBUGXUJJFJMVAFR-UHFFFAOYSA-N
XLogP2.93
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide (CID 56748583) is N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide is O=C(NC1CC1)c1ccnc(N2CCCC(CO)(Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is BUGXUJJFJMVAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-18-4-2-16(3-5-18)13-22(15-27)9-1-11-26(14-22)20-12-17(8-10-24-20)21(28)25-19-6-7-19/h2-5,8,10,12,19,27H,1,6-7,9,11,13-15H2,(H,25,28).
What are the key properties of N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 56748583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).