N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide

C18H22N4O2S2 — CID 58451869

IUPACN-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
SMILESCSCCNC(=O)c1ccnc(-c2cc(C(=O)NCCSC)ccn2)c1
InChIInChI=1S/C18H22N4O2S2/c1-25-9-7-21-17(23)13-3-5-19-15(11-13)16-12-14(4-6-20-16)18(24)22-8-10-26-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXUPASQMUIRDZCN-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.33
Rot. Bonds9

About N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide

N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 58451869) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
PubChem CID58451869
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC NameN-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
SMILESCSCCNC(=O)c1ccnc(-c2cc(C(=O)NCCSC)ccn2)c1
InChIInChI=1S/C18H22N4O2S2/c1-25-9-7-21-17(23)13-3-5-19-15(11-13)16-12-14(4-6-20-16)18(24)22-8-10-26-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXUPASQMUIRDZCN-UHFFFAOYSA-N
XLogP2.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide
CID 58451849
2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 63962518
2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635789
N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 23251114
N-(2-methylsulfanylethyl)-3-phenylbenzamide
CID 67213717
4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63962299
2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 60693650
3-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfanylethyl)benzamide
CID 76996589
4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963789
N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide
CID 10149325

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide (CID 58451869) is N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide is CSCCNC(=O)c1ccnc(-c2cc(C(=O)NCCSC)ccn2)c1.
What is the InChIKey of N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is XUPASQMUIRDZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-25-9-7-21-17(23)13-3-5-19-15(11-13)16-12-14(4-6-20-16)18(24)22-8-10-26-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide?
N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 58451869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).