6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide

C22H28FN3O2 — CID 59730099

IUPAC6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide
SMILESCC(C)CCN(Cc1ccc(Oc2ccc(C(N)=O)cn2)c(F)c1)CC1CC1
InChIInChI=1S/C22H28FN3O2/c1-15(2)9-10-26(13-16-3-4-16)14-17-5-7-20(19(23)11-17)28-21-8-6-18(12-25-21)22(24)27/h5-8,11-12,15-16H,3-4,9-10,13-14H2,1-2H3,(H2,24,27)
InChIKeyREFCGNFVLOHYNS-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.37
Rot. Bonds10

About 6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide

6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide (PubChem CID 59730099) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide
PubChem CID59730099
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide
SMILESCC(C)CCN(Cc1ccc(Oc2ccc(C(N)=O)cn2)c(F)c1)CC1CC1
InChIInChI=1S/C22H28FN3O2/c1-15(2)9-10-26(13-16-3-4-16)14-17-5-7-20(19(23)11-17)28-21-8-6-18(12-25-21)22(24)27/h5-8,11-12,15-16H,3-4,9-10,13-14H2,1-2H3,(H2,24,27)
InChIKeyREFCGNFVLOHYNS-UHFFFAOYSA-N
XLogP4.37
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide (CID 59730099) is 6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide is CC(C)CCN(Cc1ccc(Oc2ccc(C(N)=O)cn2)c(F)c1)CC1CC1.
What is the InChIKey of 6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide?
The InChIKey is REFCGNFVLOHYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-15(2)9-10-26(13-16-3-4-16)14-17-5-7-20(19(23)11-17)28-21-8-6-18(12-25-21)22(24)27/h5-8,11-12,15-16H,3-4,9-10,13-14H2,1-2H3,(H2,24,27).
What are the key properties of 6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide?
6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide has a molecular weight of 385.48 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59730099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).