N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide

C17H19FN2O — CID 71880343

IUPACN-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C(c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C17H19FN2O/c1-3-7-16(21)20(2)17(15-10-4-5-11-19-15)13-8-6-9-14(18)12-13/h4-6,8-12,17H,3,7H2,1-2H3
InChIKeyLUIZDXDVWSOEAG-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.57
Rot. Bonds5

About N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide

N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide (PubChem CID 71880343) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide
PubChem CID71880343
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C(c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C17H19FN2O/c1-3-7-16(21)20(2)17(15-10-4-5-11-19-15)13-8-6-9-14(18)12-13/h4-6,8-12,17H,3,7H2,1-2H3
InChIKeyLUIZDXDVWSOEAG-UHFFFAOYSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide?
The IUPAC name of N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide (CID 71880343) is N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide.
What is the SMILES notation for N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide?
The canonical SMILES for N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide is CCCC(=O)N(C)C(c1cccc(F)c1)c1ccccn1.
What is the InChIKey of N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide?
The InChIKey is LUIZDXDVWSOEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-7-16(21)20(2)17(15-10-4-5-11-19-15)13-8-6-9-14(18)12-13/h4-6,8-12,17H,3,7H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide?
N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide has a molecular weight of 286.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylbutanamide is sourced from PubChem (CID 71880343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).