N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide

C18H21N3O2S — CID 82032013

IUPACN-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide
SMILESCc1cccc(=O)n1CCCCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C18H21N3O2S/c1-13-5-4-7-17(23)21(13)12-3-2-6-16(22)20-15-10-8-14(9-11-15)18(19)24/h4-5,7-11H,2-3,6,12H2,1H3,(H2,19,24)(H,20,22)
InChIKeyGCEYWZIBMPYJNA-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.60
Rot. Bonds7

About N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide

N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide (PubChem CID 82032013) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide
PubChem CID82032013
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide
SMILESCc1cccc(=O)n1CCCCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C18H21N3O2S/c1-13-5-4-7-17(23)21(13)12-3-2-6-16(22)20-15-10-8-14(9-11-15)18(19)24/h4-5,7-11H,2-3,6,12H2,1H3,(H2,19,24)(H,20,22)
InChIKeyGCEYWZIBMPYJNA-UHFFFAOYSA-N
XLogP2.60
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 82032029
N-(4-carbamothioylphenyl)-4-phenylbutanamide
CID 28939713
N-(4-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365344
methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate
CID 75366166
N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 29268617
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
6-methyl-1-(4-oxopentyl)pyridin-2-one
CID 62023067
4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid
CID 60875461
N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 63172560
N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 29046567
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide
CID 60984633

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide?
The IUPAC name of N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide (CID 82032013) is N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide is Cc1cccc(=O)n1CCCCC(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide?
The InChIKey is GCEYWZIBMPYJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13-5-4-7-17(23)21(13)12-3-2-6-16(22)20-15-10-8-14(9-11-15)18(19)24/h4-5,7-11H,2-3,6,12H2,1H3,(H2,19,24)(H,20,22).
What are the key properties of N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide?
N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide has a molecular weight of 343.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide is sourced from PubChem (CID 82032013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).