N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

C16H19N3O2S — CID 51084353

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESCOc1ncccc1CNC(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C16H19N3O2S/c1-21-15-12(4-2-7-17-15)10-18-16(20)19-8-3-5-14(19)13-6-9-22-11-13/h2,4,6-7,9,11,14H,3,5,8,10H2,1H3,(H,18,20)
InChIKeyOFQCOOACFVGJRL-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.20
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 51084353) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID51084353
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESCOc1ncccc1CNC(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C16H19N3O2S/c1-21-15-12(4-2-7-17-15)10-18-16(20)19-8-3-5-14(19)13-6-9-22-11-13/h2,4,6-7,9,11,14H,3,5,8,10H2,1H3,(H,18,20)
InChIKeyOFQCOOACFVGJRL-UHFFFAOYSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51959608
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166
(2S)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94096719
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 136577377
(2R)-N-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030715
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 127774583
(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94171868
(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 97311685
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94103812
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 75415776

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 51084353) is N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is COc1ncccc1CNC(=O)N1CCCC1c1ccsc1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is OFQCOOACFVGJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-21-15-12(4-2-7-17-15)10-18-16(20)19-8-3-5-14(19)13-6-9-22-11-13/h2,4,6-7,9,11,14H,3,5,8,10H2,1H3,(H,18,20).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51084353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).