N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide

C19H23FN2O — CID 166807773

IUPACN-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide
SMILESCCC(C)C(CNC=O)c1cc(C)c(F)c(-c2ccccc2)n1
InChIInChI=1S/C19H23FN2O/c1-4-13(2)16(11-21-12-23)17-10-14(3)18(20)19(22-17)15-8-6-5-7-9-15/h5-10,12-13,16H,4,11H2,1-3H3,(H,21,23)
InChIKeyMDDORSHVRDKUIP-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.07
Rot. Bonds7

About N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide

N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide (PubChem CID 166807773) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide
PubChem CID166807773
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide
SMILESCCC(C)C(CNC=O)c1cc(C)c(F)c(-c2ccccc2)n1
InChIInChI=1S/C19H23FN2O/c1-4-13(2)16(11-21-12-23)17-10-14(3)18(20)19(22-17)15-8-6-5-7-9-15/h5-10,12-13,16H,4,11H2,1-3H3,(H,21,23)
InChIKeyMDDORSHVRDKUIP-UHFFFAOYSA-N
XLogP4.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide?
The IUPAC name of N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide (CID 166807773) is N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide.
What is the SMILES notation for N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide?
The canonical SMILES for N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide is CCC(C)C(CNC=O)c1cc(C)c(F)c(-c2ccccc2)n1.
What is the InChIKey of N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide?
The InChIKey is MDDORSHVRDKUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-4-13(2)16(11-21-12-23)17-10-14(3)18(20)19(22-17)15-8-6-5-7-9-15/h5-10,12-13,16H,4,11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide?
N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide has a molecular weight of 314.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-4-methyl-6-phenyl-2-pyridinyl)-3-methylpentyl]formamide is sourced from PubChem (CID 166807773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).