N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide

C15H15N3OS — CID 106753009

IUPACN-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CC(N)=S)cc2)ccn1
InChIInChI=1S/C15H15N3OS/c1-10-8-12(6-7-17-10)15(19)18-13-4-2-11(3-5-13)9-14(16)20/h2-8H,9H2,1H3,(H2,16,20)(H,18,19)
InChIKeyMIBMSJKGTXHWQW-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.47
Rot. Bonds4

About N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide

N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide (PubChem CID 106753009) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide
PubChem CID106753009
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CC(N)=S)cc2)ccn1
InChIInChI=1S/C15H15N3OS/c1-10-8-12(6-7-17-10)15(19)18-13-4-2-11(3-5-13)9-14(16)20/h2-8H,9H2,1H3,(H2,16,20)(H,18,19)
InChIKeyMIBMSJKGTXHWQW-UHFFFAOYSA-N
XLogP2.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.47
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)-2-methylpyridine-4-carboxamide
CID 106752978
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66128409
2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide
CID 114325839
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-bromobenzamide
CID 62301577
4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide
CID 82179485
3-(2-amino-2-sulfanylideneethyl)-N-(4-ethylphenyl)benzamide
CID 82179523
4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide
CID 82179511
2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
CID 114326175
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107961757
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752988
N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide
CID 106754238

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide (CID 106753009) is N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(CC(N)=S)cc2)ccn1.
What is the InChIKey of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide?
The InChIKey is MIBMSJKGTXHWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-8-12(6-7-17-10)15(19)18-13-4-2-11(3-5-13)9-14(16)20/h2-8H,9H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide?
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).