N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide

C17H19N3O3S — CID 97141444

IUPACN-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccc([C@@H]2CCCO2)s1)c1cccnc1
InChIInChI=1S/C17H19N3O3S/c21-16(12-3-1-7-18-11-12)19-8-9-20-17(22)15-6-5-14(24-15)13-4-2-10-23-13/h1,3,5-7,11,13H,2,4,8-10H2,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyDSRJQERKBJHHRR-ZDUSSCGKSA-N
MW345.42 g/mol
LogP2.15
Rot. Bonds6

About N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 97141444) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID97141444
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccc([C@@H]2CCCO2)s1)c1cccnc1
InChIInChI=1S/C17H19N3O3S/c21-16(12-3-1-7-18-11-12)19-8-9-20-17(22)15-6-5-14(24-15)13-4-2-10-23-13/h1,3,5-7,11,13H,2,4,8-10H2,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyDSRJQERKBJHHRR-ZDUSSCGKSA-N
XLogP2.15
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56705354
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
5-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 72923589
N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
CID 125145459
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56744091
N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72886191
N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97141233
N-[2-[[N-ethyl-N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111138704
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide
CID 171557176
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72902804
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 74250771

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide (CID 97141444) is N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide is O=C(NCCNC(=O)c1ccc([C@@H]2CCCO2)s1)c1cccnc1.
What is the InChIKey of N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is DSRJQERKBJHHRR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-16(12-3-1-7-18-11-12)19-8-9-20-17(22)15-6-5-14(24-15)13-4-2-10-23-13/h1,3,5-7,11,13H,2,4,8-10H2,(H,19,21)(H,20,22)/t13-/m0/s1.
What are the key properties of N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 97141444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).