N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide

C17H19N3O3S — CID 95160272

IUPACN-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1sccc1NC(=O)c1ccncc1)[C@@H]1CCCO1
InChIInChI=1S/C17H19N3O3S/c1-11(14-3-2-9-23-14)19-17(22)15-13(6-10-24-15)20-16(21)12-4-7-18-8-5-12/h4-8,10-11,14H,2-3,9H2,1H3,(H,19,22)(H,20,21)/t11-,14-/m0/s1
InChIKeyIGMUNCYJNZWOAL-FZMZJTMJSA-N
MW345.42 g/mol
LogP2.69
Rot. Bonds5

About N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide

N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide (PubChem CID 95160272) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
PubChem CID95160272
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1sccc1NC(=O)c1ccncc1)[C@@H]1CCCO1
InChIInChI=1S/C17H19N3O3S/c1-11(14-3-2-9-23-14)19-17(22)15-13(6-10-24-15)20-16(21)12-4-7-18-8-5-12/h4-8,10-11,14H,2-3,9H2,1H3,(H,19,22)(H,20,21)/t11-,14-/m0/s1
InChIKeyIGMUNCYJNZWOAL-FZMZJTMJSA-N
XLogP2.69
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 63797263
N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide
CID 47323861
N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 120598578
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
1-methyl-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-(pyridin-4-ylmethyl)urea
CID 95643433
N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 43062296
2-hydrazinyl-N-[1-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 62242671
2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 35262964
2-ethoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyridine-3-carboxamide
CID 35250402

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide (CID 95160272) is N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide is C[C@H](NC(=O)c1sccc1NC(=O)c1ccncc1)[C@@H]1CCCO1.
What is the InChIKey of N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The InChIKey is IGMUNCYJNZWOAL-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11(14-3-2-9-23-14)19-17(22)15-13(6-10-24-15)20-16(21)12-4-7-18-8-5-12/h4-8,10-11,14H,2-3,9H2,1H3,(H,19,22)(H,20,21)/t11-,14-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95160272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).