N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

C20H23N3OS2 — CID 71895904

IUPACN-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(C2SCCCS2)c1)N1CCCC1c1ccncc1
InChIInChI=1S/C20H23N3OS2/c24-20(23-11-2-6-18(23)15-7-9-21-10-8-15)22-17-5-1-4-16(14-17)19-25-12-3-13-26-19/h1,4-5,7-10,14,18-19H,2-3,6,11-13H2,(H,22,24)
InChIKeyBNMJQDHSEWRHTF-UHFFFAOYSA-N
MW385.56 g/mol
LogP5.32
Rot. Bonds3

About N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 71895904) has the molecular formula C20H23N3OS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID71895904
Molecular FormulaC20H23N3OS2
Molecular Weight385.56 g/mol
Exact Mass385.13
IUPAC NameN-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(C2SCCCS2)c1)N1CCCC1c1ccncc1
InChIInChI=1S/C20H23N3OS2/c24-20(23-11-2-6-18(23)15-7-9-21-10-8-15)22-17-5-1-4-16(14-17)19-25-12-3-13-26-19/h1,4-5,7-10,14,18-19H,2-3,6,11-13H2,(H,22,24)
InChIKeyBNMJQDHSEWRHTF-UHFFFAOYSA-N
XLogP5.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94655019
2-pyridin-4-yl-N-[3-(1,3-thiazol-2-yl)phenyl]azepane-1-carboxamide
CID 87035823
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 136576931
[4-(1,3-dithian-2-yl)phenyl]-(2-pyridin-4-ylazepan-1-yl)methanone
CID 86998562
2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide
CID 86988125
N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71941798
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
(2R)-N-[3-(propan-2-yloxymethyl)phenyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 95235839
N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
CID 87035285
(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661719

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 71895904) is N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc(C2SCCCS2)c1)N1CCCC1c1ccncc1.
What is the InChIKey of N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is BNMJQDHSEWRHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS2/c24-20(23-11-2-6-18(23)15-7-9-21-10-8-15)22-17-5-1-4-16(14-17)19-25-12-3-13-26-19/h1,4-5,7-10,14,18-19H,2-3,6,11-13H2,(H,22,24).
What are the key properties of N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 385.56 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 71895904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).