N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide

C15H14FN3OS — CID 63359290

IUPACN-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCc2ccc(C(N)=S)cc2F)n1
InChIInChI=1S/C15H14FN3OS/c1-9-3-2-4-13(19-9)15(20)18-8-11-6-5-10(14(17)21)7-12(11)16/h2-7H,8H2,1H3,(H2,17,21)(H,18,20)
InChIKeyYLTVFJXNBPBHQT-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.09
Rot. Bonds4

About N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide

N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 63359290) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide
PubChem CID63359290
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC NameN-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCc2ccc(C(N)=S)cc2F)n1
InChIInChI=1S/C15H14FN3OS/c1-9-3-2-4-13(19-9)15(20)18-8-11-6-5-10(14(17)21)7-12(11)16/h2-7H,8H2,1H3,(H2,17,21)(H,18,20)
InChIKeyYLTVFJXNBPBHQT-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-carbamothioylphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 62311046
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-1-methylimidazole-4-carboxamide
CID 107972232
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 63359465
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-6-methylpyridine-2-carboxamide
CID 76939160
N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide
CID 63359331
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide
CID 63359642
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
CID 66089048
N-[(3-carbamothioylphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198716
5-carbamothioyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 63748833
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 79158420

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide (CID 63359290) is N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NCc2ccc(C(N)=S)cc2F)n1.
What is the InChIKey of N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is YLTVFJXNBPBHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-9-3-2-4-13(19-9)15(20)18-8-11-6-5-10(14(17)21)7-12(11)16/h2-7H,8H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide?
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 63359290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).