N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide

C13H14N2O2S — CID 15231495

IUPACN-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
SMILESO=C(NCCCOc1ccncc1)c1cccs1
InChIInChI=1S/C13H14N2O2S/c16-13(12-3-1-10-18-12)15-6-2-9-17-11-4-7-14-8-5-11/h1,3-5,7-8,10H,2,6,9H2,(H,15,16)
InChIKeyBUIKKUNWKHNSQP-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.34
Rot. Bonds6

About N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide

N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide (PubChem CID 15231495) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
PubChem CID15231495
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
SMILESO=C(NCCCOc1ccncc1)c1cccs1
InChIInChI=1S/C13H14N2O2S/c16-13(12-3-1-10-18-12)15-6-2-9-17-11-4-7-14-8-5-11/h1,3-5,7-8,10H,2,6,9H2,(H,15,16)
InChIKeyBUIKKUNWKHNSQP-UHFFFAOYSA-N
XLogP2.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyridin-2-yloxypropyl)thiophene-2-carboxamide
CID 19079216
3-(thiophene-2-carbonylamino)propyl 2-(4-ethoxyphenoxy)acetate
CID 84559948
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
CID 30865920
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27758223
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
4-[4-[(thiophene-2-carbonylamino)methyl]phenoxy]butanoic acid
CID 119247435
3-(thiophene-2-carbonylamino)propyl 4-chlorobenzoate
CID 84558990

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide (CID 15231495) is N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide is O=C(NCCCOc1ccncc1)c1cccs1.
What is the InChIKey of N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide?
The InChIKey is BUIKKUNWKHNSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-13(12-3-1-10-18-12)15-6-2-9-17-11-4-7-14-8-5-11/h1,3-5,7-8,10H,2,6,9H2,(H,15,16).
What are the key properties of N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide?
N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 15231495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).