(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

C17H17N3O2S — CID 125434250

IUPAC(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESCOc1ncccc1NC(=O)C[C@H](c1ccsc1)n1cccc1
InChIInChI=1S/C17H17N3O2S/c1-22-17-14(5-4-7-18-17)19-16(21)11-15(13-6-10-23-12-13)20-8-2-3-9-20/h2-10,12,15H,11H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyUBJQUXFEHZIZBM-OAHLLOKOSA-N
MW327.41 g/mol
LogP3.57
Rot. Bonds6

About (3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (PubChem CID 125434250) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
PubChem CID125434250
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESCOc1ncccc1NC(=O)C[C@H](c1ccsc1)n1cccc1
InChIInChI=1S/C17H17N3O2S/c1-22-17-14(5-4-7-18-17)19-16(21)11-15(13-6-10-23-12-13)20-8-2-3-9-20/h2-10,12,15H,11H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyUBJQUXFEHZIZBM-OAHLLOKOSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-3-pyridinyl)-3-phenyl-3-pyrrol-1-ylpropanamide
CID 110204604
(3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide
CID 125432558
(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125124241
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962816
(3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431879
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963487
(3R)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431106
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94181212
(3S)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431340
3-amino-N-(2-methoxy-3-pyridinyl)-3-phenylpropanamide
CID 43708900
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963509
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of (3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (CID 125434250) is (3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for (3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for (3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is COc1ncccc1NC(=O)C[C@H](c1ccsc1)n1cccc1.
What is the InChIKey of (3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The InChIKey is UBJQUXFEHZIZBM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-22-17-14(5-4-7-18-17)19-16(21)11-15(13-6-10-23-12-13)20-8-2-3-9-20/h2-10,12,15H,11H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide has a molecular weight of 327.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 125434250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).