N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C18H20N4O2S — CID 42305622

IUPACN-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1cccnc1N1CCC[C@H](O)C1)c1cc2sccc2[nH]1
InChIInChI=1S/C18H20N4O2S/c23-13-4-2-7-22(11-13)17-12(3-1-6-19-17)10-20-18(24)15-9-16-14(21-15)5-8-25-16/h1,3,5-6,8-9,13,21,23H,2,4,7,10-11H2,(H,20,24)/t13-/m0/s1
InChIKeyCTSGCHJSRZXJOV-ZDUSSCGKSA-N
MW356.45 g/mol
LogP2.52
Rot. Bonds4

About N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 42305622) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID42305622
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1cccnc1N1CCC[C@H](O)C1)c1cc2sccc2[nH]1
InChIInChI=1S/C18H20N4O2S/c23-13-4-2-7-22(11-13)17-12(3-1-6-19-17)10-20-18(24)15-9-16-14(21-15)5-8-25-16/h1,3,5-6,8-9,13,21,23H,2,4,7,10-11H2,(H,20,24)/t13-/m0/s1
InChIKeyCTSGCHJSRZXJOV-ZDUSSCGKSA-N
XLogP2.52
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

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N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
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N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide
CID 56745363
3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 45206257
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CID 45232066
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95227914
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 56750620
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 95204100
1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol
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N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 42305622) is N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(NCc1cccnc1N1CCC[C@H](O)C1)c1cc2sccc2[nH]1.
What is the InChIKey of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is CTSGCHJSRZXJOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-13-4-2-7-22(11-13)17-12(3-1-6-19-17)10-20-18(24)15-9-16-14(21-15)5-8-25-16/h1,3,5-6,8-9,13,21,23H,2,4,7,10-11H2,(H,20,24)/t13-/m0/s1.
What are the key properties of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42305622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).