N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide

C16H17ClN2O2S — CID 72925065

IUPACN-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESCN(Cc1cccnc1Cl)C(=O)c1ccc(C2CCCO2)s1
InChIInChI=1S/C16H17ClN2O2S/c1-19(10-11-4-2-8-18-15(11)17)16(20)14-7-6-13(22-14)12-5-3-9-21-12/h2,4,6-8,12H,3,5,9-10H2,1H3
InChIKeyQXWVFMRIWVJWFH-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.92
Rot. Bonds4

About N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide

N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide (PubChem CID 72925065) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
PubChem CID72925065
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESCN(Cc1cccnc1Cl)C(=O)c1ccc(C2CCCO2)s1
InChIInChI=1S/C16H17ClN2O2S/c1-19(10-11-4-2-8-18-15(11)17)16(20)14-7-6-13(22-14)12-5-3-9-21-12/h2,4,6-8,12H,3,5,9-10H2,1H3
InChIKeyQXWVFMRIWVJWFH-UHFFFAOYSA-N
XLogP3.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide
CID 72890369
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 50966435
N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 97111991
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56705354
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97153924
N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97141444
N-[(2-chloro-3-pyridinyl)methyl]-5-[(3-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 56743043
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 95896182
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72902804
2-(1-adamantyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylacetamide
CID 46992355
N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 50968215
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56744091

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide (CID 72925065) is N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide is CN(Cc1cccnc1Cl)C(=O)c1ccc(C2CCCO2)s1.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide?
The InChIKey is QXWVFMRIWVJWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-19(10-11-4-2-8-18-15(11)17)16(20)14-7-6-13(22-14)12-5-3-9-21-12/h2,4,6-8,12H,3,5,9-10H2,1H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide?
N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide has a molecular weight of 336.84 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 72925065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).