N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C21H26FN3O2 — CID 58768988

IUPACN-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCC(O)c1ccc(F)cc1)c1ccc(CCN2CCCC2)nc1
InChIInChI=1S/C21H26FN3O2/c22-18-6-3-16(4-7-18)20(26)9-11-23-21(27)17-5-8-19(24-15-17)10-14-25-12-1-2-13-25/h3-8,15,20,26H,1-2,9-14H2,(H,23,27)
InChIKeyZDFOBWKBYCAJGI-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.71
Rot. Bonds8

About N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 58768988) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID58768988
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCC(O)c1ccc(F)cc1)c1ccc(CCN2CCCC2)nc1
InChIInChI=1S/C21H26FN3O2/c22-18-6-3-16(4-7-18)20(26)9-11-23-21(27)17-5-8-19(24-15-17)10-14-25-12-1-2-13-25/h3-8,15,20,26H,1-2,9-14H2,(H,23,27)
InChIKeyZDFOBWKBYCAJGI-UHFFFAOYSA-N
XLogP2.71
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 58768988) is N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCCC(O)c1ccc(F)cc1)c1ccc(CCN2CCCC2)nc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is ZDFOBWKBYCAJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c22-18-6-3-16(4-7-18)20(26)9-11-23-21(27)17-5-8-19(24-15-17)10-14-25-12-1-2-13-25/h3-8,15,20,26H,1-2,9-14H2,(H,23,27).
What are the key properties of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58768988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).