N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide

C23H23N3OS — CID 9118983

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C23H23N3OS/c27-22(21-12-7-14-24-23(21)28-20-10-5-2-6-11-20)25-19-13-15-26(17-19)16-18-8-3-1-4-9-18/h1-12,14,19H,13,15-17H2,(H,25,27)/t19-/m0/s1
InChIKeyYCVSONCWWOBJLX-IBGZPJMESA-N
MW389.52 g/mol
LogP4.24
Rot. Bonds6

About N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide

N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 9118983) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID9118983
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C23H23N3OS/c27-22(21-12-7-14-24-23(21)28-20-10-5-2-6-11-20)25-19-13-15-26(17-19)16-18-8-3-1-4-9-18/h1-12,14,19H,13,15-17H2,(H,25,27)/t19-/m0/s1
InChIKeyYCVSONCWWOBJLX-IBGZPJMESA-N
XLogP4.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 47074740
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 9118982
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[(3S)-1-benzylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 26006845
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 55514779
N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 95304804
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
CID 95254725
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 94172282
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide (CID 9118983) is N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide is O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is YCVSONCWWOBJLX-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23N3OS/c27-22(21-12-7-14-24-23(21)28-20-10-5-2-6-11-20)25-19-13-15-26(17-19)16-18-8-3-1-4-9-18/h1-12,14,19H,13,15-17H2,(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 9118983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).