N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide

C19H20N2OS2 — CID 86919919

IUPACN-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(C2SCCS2)cc1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C19H20N2OS2/c22-18(15-1-3-16(4-2-15)19-23-11-12-24-19)21(17-5-6-17)13-14-7-9-20-10-8-14/h1-4,7-10,17,19H,5-6,11-13H2
InChIKeyFAUMWEFZXAJJRI-UHFFFAOYSA-N
MW356.52 g/mol
LogP4.36
Rot. Bonds5

About N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide

N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 86919919) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID86919919
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC NameN-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(C2SCCS2)cc1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C19H20N2OS2/c22-18(15-1-3-16(4-2-15)19-23-11-12-24-19)21(17-5-6-17)13-14-7-9-20-10-8-14/h1-4,7-10,17,19H,5-6,11-13H2
InChIKeyFAUMWEFZXAJJRI-UHFFFAOYSA-N
XLogP4.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide
CID 60674055
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 60777644
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-[(3R)-1,1-dioxothiolan-3-yl]-4-(1,3-dithiolan-2-yl)-N-ethylbenzamide
CID 41076534
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66388889
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 103752593

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide (CID 86919919) is N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide is O=C(c1ccc(C2SCCS2)cc1)N(Cc1ccncc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is FAUMWEFZXAJJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS2/c22-18(15-1-3-16(4-2-15)19-23-11-12-24-19)21(17-5-6-17)13-14-7-9-20-10-8-14/h1-4,7-10,17,19H,5-6,11-13H2.
What are the key properties of N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide?
N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 356.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 86919919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).