N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide

C19H21N3OS — CID 47074740

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(NC1CCN(C2CC2)C1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C19H21N3OS/c23-18(21-14-10-12-22(13-14)15-8-9-15)17-7-4-11-20-19(17)24-16-5-2-1-3-6-16/h1-7,11,14-15H,8-10,12-13H2,(H,21,23)
InChIKeyANASSBPBFQAFBY-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.20
Rot. Bonds5

About N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide

N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 47074740) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID47074740
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(NC1CCN(C2CC2)C1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C19H21N3OS/c23-18(21-14-10-12-22(13-14)15-8-9-15)17-7-4-11-20-19(17)24-16-5-2-1-3-6-16/h1-7,11,14-15H,8-10,12-13H2,(H,21,23)
InChIKeyANASSBPBFQAFBY-UHFFFAOYSA-N
XLogP3.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 9118983
N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 95304804
N-(1-cyclopropylpyrrolidin-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62173888
2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 47100478
N-(1-cyclopentylpyrrolidin-3-yl)-2-pyrazol-1-ylpyridine-3-carboxamide
CID 166197651
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 9118982
2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide
CID 60728134
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 55514779
2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 99875589
3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 112575801
(2-phenylsulfanyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 78774467

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide (CID 47074740) is N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide is O=C(NC1CCN(C2CC2)C1)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is ANASSBPBFQAFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c23-18(21-14-10-12-22(13-14)15-8-9-15)17-7-4-11-20-19(17)24-16-5-2-1-3-6-16/h1-7,11,14-15H,8-10,12-13H2,(H,21,23).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide?
N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 47074740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).