(E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C15H17N3O2 — CID 47234593

IUPAC(E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccnc2N(C)C)o1
InChIInChI=1S/C15H17N3O2/c1-11-6-7-12(20-11)8-9-14(19)17-13-5-4-10-16-15(13)18(2)3/h4-10H,1-3H3,(H,17,19)/b9-8+
InChIKeyXCRPTCIWDXRNMS-CMDGGOBGSA-N
MW271.32 g/mol
LogP2.70
Rot. Bonds4

About (E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 47234593) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID47234593
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccnc2N(C)C)o1
InChIInChI=1S/C15H17N3O2/c1-11-6-7-12(20-11)8-9-14(19)17-13-5-4-10-16-15(13)18(2)3/h4-10H,1-3H3,(H,17,19)/b9-8+
InChIKeyXCRPTCIWDXRNMS-CMDGGOBGSA-N
XLogP2.70
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4988689
3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 721179
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide
CID 874993
2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 77003732
N-[2-(dimethylamino)pyrimidin-5-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71910936
(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 897086
3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pyridine-4-carboxylic acid
CID 77037436
N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71904712
3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76856320
3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393608
(E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 31893838

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 47234593) is (E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cccnc2N(C)C)o1.
What is the InChIKey of (E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is XCRPTCIWDXRNMS-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-6-7-12(20-11)8-9-14(19)17-13-5-4-10-16-15(13)18(2)3/h4-10H,1-3H3,(H,17,19)/b9-8+.
What are the key properties of (E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 47234593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).