(E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide

C16H16N2OS — CID 134004593

IUPAC(E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccnc1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H16N2OS/c19-16(8-5-13-3-1-9-17-11-13)18(14-6-7-14)12-15-4-2-10-20-15/h1-5,8-11,14H,6-7,12H2/b8-5+
InChIKeyOGFMMQYVHKPJJO-VMPITWQZSA-N
MW284.38 g/mol
LogP3.35
Rot. Bonds5

About (E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 134004593) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID134004593
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name(E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccnc1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H16N2OS/c19-16(8-5-13-3-1-9-17-11-13)18(14-6-7-14)12-15-4-2-10-20-15/h1-5,8-11,14H,6-7,12H2/b8-5+
InChIKeyOGFMMQYVHKPJJO-VMPITWQZSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 126809277
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134004442
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 37484172
N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645728
(E)-N-cyclopropyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 37484166
(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31837807
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992646
(E)-3-(1,3-benzodioxol-5-yl)-N-pyrazolidin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 122412836
(E)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 38085432
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 134004593) is (E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1cccnc1)N(Cc1cccs1)C1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is OGFMMQYVHKPJJO-VMPITWQZSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-16(8-5-13-3-1-9-17-11-13)18(14-6-7-14)12-15-4-2-10-20-15/h1-5,8-11,14H,6-7,12H2/b8-5+.
What are the key properties of (E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 284.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 134004593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).