N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide

C14H20FN3OS2 — CID 105387471

IUPACN-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCC2CSCCS2)c1F
InChIInChI=1S/C14H20FN3OS2/c1-2-4-16-13-12(15)11(3-5-17-13)14(19)18-8-10-9-20-6-7-21-10/h3,5,10H,2,4,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyWZPPFYRCTVSIDT-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.62
Rot. Bonds6

About N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide

N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide (PubChem CID 105387471) has the molecular formula C14H20FN3OS2 and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
PubChem CID105387471
Molecular FormulaC14H20FN3OS2
Molecular Weight329.47 g/mol
Exact Mass329.10
IUPAC NameN-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCC2CSCCS2)c1F
InChIInChI=1S/C14H20FN3OS2/c1-2-4-16-13-12(15)11(3-5-17-13)14(19)18-8-10-9-20-6-7-21-10/h3,5,10H,2,4,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyWZPPFYRCTVSIDT-UHFFFAOYSA-N
XLogP2.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)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

N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388
N-[2-(ethylamino)-2-oxoethyl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384867
3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 105387416
3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 105385645
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridine-3-carboxamide
CID 115687003
3-fluoro-N-[2-(furan-2-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 105385394
5-chloro-N-(1,4-dithian-2-ylmethyl)-2-fluorobenzamide
CID 115684594
3-fluoro-N-(1-methylcyclopentyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386620
3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105386978
3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 105386261

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide (CID 105387471) is N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide is CCCNc1nccc(C(=O)NCC2CSCCS2)c1F.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is WZPPFYRCTVSIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3OS2/c1-2-4-16-13-12(15)11(3-5-17-13)14(19)18-8-10-9-20-6-7-21-10/h3,5,10H,2,4,6-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105387471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).