N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C15H23N3OS — CID 60614096

IUPACN-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCC(C)N1CCCC(CNC(=O)c2ccc[nH]c2=S)C1
InChIInChI=1S/C15H23N3OS/c1-11(2)18-8-4-5-12(10-18)9-17-14(19)13-6-3-7-16-15(13)20/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyMYGHEPWNXNKFCG-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.59
Rot. Bonds4

About N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 60614096) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID60614096
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCC(C)N1CCCC(CNC(=O)c2ccc[nH]c2=S)C1
InChIInChI=1S/C15H23N3OS/c1-11(2)18-8-4-5-12(10-18)9-17-14(19)13-6-3-7-16-15(13)20/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyMYGHEPWNXNKFCG-UHFFFAOYSA-N
XLogP2.59
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-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

N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38442154
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 94799467
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide
CID 94821318
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 56716281
1-oxido-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-1-ium-4-carboxamide
CID 60614188
N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99701691
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 60614096) is N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is CC(C)N1CCCC(CNC(=O)c2ccc[nH]c2=S)C1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is MYGHEPWNXNKFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11(2)18-8-4-5-12(10-18)9-17-14(19)13-6-3-7-16-15(13)20/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60614096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).