N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide

C19H19FN4OS — CID 144889445

IUPACN-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide
SMILESCc1cc(-c2cnc(C)c(NSc3cccc(F)c3)c2)ccn1.NC=O
InChIInChI=1S/C18H16FN3S.CH3NO/c1-12-8-14(6-7-20-12)15-9-18(13(2)21-11-15)22-23-17-5-3-4-16(19)10-17;2-1-3/h3-11,22H,1-2H3;1H,(H2,2,3)
InChIKeyYYFJKMZZVAOYEF-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.12
Rot. Bonds4

About N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide

N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide (PubChem CID 144889445) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide
PubChem CID144889445
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC NameN-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide
SMILESCc1cc(-c2cnc(C)c(NSc3cccc(F)c3)c2)ccn1.NC=O
InChIInChI=1S/C18H16FN3S.CH3NO/c1-12-8-14(6-7-20-12)15-9-18(13(2)21-11-15)22-23-17-5-3-4-16(19)10-17;2-1-3/h3-11,22H,1-2H3;1H,(H2,2,3)
InChIKeyYYFJKMZZVAOYEF-UHFFFAOYSA-N
XLogP4.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide?
The IUPAC name of N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide (CID 144889445) is N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide.
What is the SMILES notation for N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide?
The canonical SMILES for N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide is Cc1cc(-c2cnc(C)c(NSc3cccc(F)c3)c2)ccn1.NC=O.
What is the InChIKey of N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide?
The InChIKey is YYFJKMZZVAOYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3S.CH3NO/c1-12-8-14(6-7-20-12)15-9-18(13(2)21-11-15)22-23-17-5-3-4-16(19)10-17;2-1-3/h3-11,22H,1-2H3;1H,(H2,2,3).
What are the key properties of N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide?
N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide has a molecular weight of 370.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)sulfanyl-2-methyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine;formamide is sourced from PubChem (CID 144889445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).