N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide

C22H23N3O2S — CID 34672602

IUPACN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C22H23N3O2S/c26-21(18-10-6-12-23-22(18)28-17-8-2-1-3-9-17)24-16-19(20-11-7-15-27-20)25-13-4-5-14-25/h1-3,6-12,15,19H,4-5,13-14,16H2,(H,24,26)/t19-/m1/s1
InChIKeyQEGRWFZEPFQKJX-LJQANCHMSA-N
MW393.51 g/mol
LogP4.39
Rot. Bonds7

About N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 34672602) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID34672602
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C22H23N3O2S/c26-21(18-10-6-12-23-22(18)28-17-8-2-1-3-9-17)24-16-19(20-11-7-15-27-20)25-13-4-5-14-25/h1-3,6-12,15,19H,4-5,13-14,16H2,(H,24,26)/t19-/m1/s1
InChIKeyQEGRWFZEPFQKJX-LJQANCHMSA-N
XLogP4.39
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfanyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 18161411
2-ethoxy-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 4878101
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 4807708
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
CID 35354735
N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 94821178
2-chloro-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 7972625

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide (CID 34672602) is N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide is O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is QEGRWFZEPFQKJX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-21(18-10-6-12-23-22(18)28-17-8-2-1-3-9-17)24-16-19(20-11-7-15-27-20)25-13-4-5-14-25/h1-3,6-12,15,19H,4-5,13-14,16H2,(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide?
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 34672602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).