N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide

C14H12N2O2S — CID 162522067

IUPACN-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Cc2ccncc2)sc1C=O
InChIInChI=1S/C14H12N2O2S/c1-2-14(18)16-12-8-11(19-13(12)9-17)7-10-3-5-15-6-4-10/h2-6,8-9H,1,7H2,(H,16,18)
InChIKeyIXKOBUDHPBFFJK-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.67
Rot. Bonds5

About N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide

N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide (PubChem CID 162522067) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide
PubChem CID162522067
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Cc2ccncc2)sc1C=O
InChIInChI=1S/C14H12N2O2S/c1-2-14(18)16-12-8-11(19-13(12)9-17)7-10-3-5-15-6-4-10/h2-6,8-9H,1,7H2,(H,16,18)
InChIKeyIXKOBUDHPBFFJK-UHFFFAOYSA-N
XLogP2.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-chlorophenyl)-2-formylthiophen-3-yl]prop-2-enamide
CID 166904135
N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide
CID 162522080
N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide
CID 162345670
N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide
CID 162522082
N-(4-chloro-3-pyridinyl)prop-2-enamide
CID 83167019
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
pyridin-4-ylmethyl 4-(prop-2-enoylamino)benzoate
CID 166404376
[5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol
CID 164648577
N-(4-propyl-2-pyridinyl)prop-2-enamide
CID 176981976
N-ethenyl-2-pyridin-4-ylacetamide
CID 174939088
N-(3-chloropyrazin-2-yl)prop-2-enamide
CID 102989286
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293

Frequently Asked Questions

What is the IUPAC name of N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide?
The IUPAC name of N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide (CID 162522067) is N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide.
What is the SMILES notation for N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide?
The canonical SMILES for N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide is C=CC(=O)Nc1cc(Cc2ccncc2)sc1C=O.
What is the InChIKey of N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide?
The InChIKey is IXKOBUDHPBFFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-14(18)16-12-8-11(19-13(12)9-17)7-10-3-5-15-6-4-10/h2-6,8-9H,1,7H2,(H,16,18).
What are the key properties of N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide?
N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide has a molecular weight of 272.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide is sourced from PubChem (CID 162522067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).