N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide

C14H13N3OS — CID 106752978

IUPACN-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(N)=S)c2)ccn1
InChIInChI=1S/C14H13N3OS/c1-9-7-11(5-6-16-9)14(18)17-12-4-2-3-10(8-12)13(15)19/h2-8H,1H3,(H2,15,19)(H,17,18)
InChIKeyJVMQCGYVVQDKSL-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.28
Rot. Bonds3

About N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide

N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide (PubChem CID 106752978) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide
PubChem CID106752978
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(N)=S)c2)ccn1
InChIInChI=1S/C14H13N3OS/c1-9-7-11(5-6-16-9)14(18)17-12-4-2-3-10(8-12)13(15)19/h2-8H,1H3,(H2,15,19)(H,17,18)
InChIKeyJVMQCGYVVQDKSL-UHFFFAOYSA-N
XLogP2.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.28
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

3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336
3-carbamothioyl-N-pyridin-4-ylbenzamide
CID 24700505
N-(3-carbamothioylphenyl)-3-chloro-4-methylbenzamide
CID 63195318
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753009
N-(3-carbamothioylphenyl)-3,4-dihydroxybenzamide
CID 107728355
N-(3-carbamothioylphenyl)-4-hydroxybenzamide
CID 24695389
3-carbamothioyl-N-(3-iodophenyl)benzamide
CID 28977640
3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157042720
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide
CID 106753513
N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106754268
N-(3-carbamothioylphenyl)-1-methylimidazole-4-carboxamide
CID 107972144

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide (CID 106752978) is N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(C(N)=S)c2)ccn1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide?
The InChIKey is JVMQCGYVVQDKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-7-11(5-6-16-9)14(18)17-12-4-2-3-10(8-12)13(15)19/h2-8H,1H3,(H2,15,19)(H,17,18).
What are the key properties of N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide?
N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106752978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).