(2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide

C18H20N4O2S — CID 162698178

IUPAC(2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CC(c3ccncc3)C2)s1)[C@@H]1CCCN1
InChIInChI=1S/C18H20N4O2S/c23-17(14-2-1-7-20-14)21-16-4-3-15(25-16)18(24)22-10-13(11-22)12-5-8-19-9-6-12/h3-6,8-9,13-14,20H,1-2,7,10-11H2,(H,21,23)/t14-/m0/s1
InChIKeyGVJXADPMYNCOPP-AWEZNQCLSA-N
MW356.45 g/mol
LogP2.07
Rot. Bonds4

About (2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide (PubChem CID 162698178) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is (2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide
PubChem CID162698178
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name(2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CC(c3ccncc3)C2)s1)[C@@H]1CCCN1
InChIInChI=1S/C18H20N4O2S/c23-17(14-2-1-7-20-14)21-16-4-3-15(25-16)18(24)22-10-13(11-22)12-5-8-19-9-6-12/h3-6,8-9,13-14,20H,1-2,7,10-11H2,(H,21,23)/t14-/m0/s1
InChIKeyGVJXADPMYNCOPP-AWEZNQCLSA-N
XLogP2.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162698016
N-[5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162698002
(2S)-N-[5-[3-[(3,5-dichloro-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162698143
(2S)-N-[5-[3-(2-phenyl-1,3-thiazol-5-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162698088
(2S)-N-[5-[3-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazol-2-yl]azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162698229
(2S)-N-[5-[3-(5-benzyl-1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162698109
(2S)-N-[5-[3-[5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 166950754
(2S)-N-[5-[3-(2-chloro-4-fluorophenoxy)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162697995
(2S)-N-[5-[3-[5-[4-[[(2-phenylacetyl)amino]methyl]phenyl]-1,3-thiazol-2-yl]azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162698092
(4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 70713179
(2S)-N-[5-[3-[5-[4-[[(2-cyclopentyl-1-hydroxyethyl)amino]methyl]phenyl]-1,3-thiazol-2-yl]azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 166950686
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide (CID 162698178) is (2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(C(=O)N2CC(c3ccncc3)C2)s1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is GVJXADPMYNCOPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-17(14-2-1-7-20-14)21-16-4-3-15(25-16)18(24)22-10-13(11-22)12-5-8-19-9-6-12/h3-6,8-9,13-14,20H,1-2,7,10-11H2,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(3-pyridin-4-ylazetidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162698178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).