N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide

C14H16N2O2S — CID 162522082

IUPACN-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C2=CCN(C)CC2)sc1C=O
InChIInChI=1S/C14H16N2O2S/c1-3-14(18)15-11-8-12(19-13(11)9-17)10-4-6-16(2)7-5-10/h3-4,8-9H,1,5-7H2,2H3,(H,15,18)
InChIKeyMJYITBCNXHVMMM-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.40
Rot. Bonds4

About N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide

N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide (PubChem CID 162522082) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide
PubChem CID162522082
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C2=CCN(C)CC2)sc1C=O
InChIInChI=1S/C14H16N2O2S/c1-3-14(18)15-11-8-12(19-13(11)9-17)10-4-6-16(2)7-5-10/h3-4,8-9H,1,5-7H2,2H3,(H,15,18)
InChIKeyMJYITBCNXHVMMM-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.40
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-[2-formyl-5-(pyridin-4-ylmethyl)thiophen-3-yl]prop-2-enamide
CID 162522067
but-2-enedioic acid;2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-benzothiophen-5-yl]-4,5-dihydro-1,3-thiazole
CID 70211485
N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide
CID 166113297
3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde
CID 22561750
N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide
CID 165118334
N-[3-[2-[4-(3-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421536
N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide
CID 166412526
[5-fluoro-2-(prop-2-enoylamino)phenyl]boronic acid
CID 86053121
CID 177364720
CID 177364720
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
CID 175912943

Frequently Asked Questions

What is the IUPAC name of N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide?
The IUPAC name of N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide (CID 162522082) is N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide.
What is the SMILES notation for N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide?
The canonical SMILES for N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide is C=CC(=O)Nc1cc(C2=CCN(C)CC2)sc1C=O.
What is the InChIKey of N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide?
The InChIKey is MJYITBCNXHVMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-14(18)15-11-8-12(19-13(11)9-17)10-4-6-16(2)7-5-10/h3-4,8-9H,1,5-7H2,2H3,(H,15,18).
What are the key properties of N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide?
N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide has a molecular weight of 276.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-formyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophen-3-yl]prop-2-enamide is sourced from PubChem (CID 162522082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).