(E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide

C17H17N3O3 — CID 119104466

IUPAC(E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide
SMILESCn1ccc2ccn(CCNC(=O)/C=C/c3ccco3)c(=O)c21
InChIInChI=1S/C17H17N3O3/c1-19-9-6-13-7-10-20(17(22)16(13)19)11-8-18-15(21)5-4-14-3-2-12-23-14/h2-7,9-10,12H,8,11H2,1H3,(H,18,21)/b5-4+
InChIKeyGNMXVVHOEPKKFQ-SNAWJCMRSA-N
MW311.34 g/mol
LogP1.76
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide (PubChem CID 119104466) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide
PubChem CID119104466
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide
SMILESCn1ccc2ccn(CCNC(=O)/C=C/c3ccco3)c(=O)c21
InChIInChI=1S/C17H17N3O3/c1-19-9-6-13-7-10-20(17(22)16(13)19)11-8-18-15(21)5-4-14-3-2-12-23-14/h2-7,9-10,12H,8,11H2,1H3,(H,18,21)/b5-4+
InChIKeyGNMXVVHOEPKKFQ-SNAWJCMRSA-N
XLogP1.76
TPSA69.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide with MolForge

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Related Compounds

(E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide
CID 86263711
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]prop-2-enamide
CID 91939214
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide
CID 124843648
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 56789002
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide (CID 119104466) is (E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide is Cn1ccc2ccn(CCNC(=O)/C=C/c3ccco3)c(=O)c21.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide?
The InChIKey is GNMXVVHOEPKKFQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-19-9-6-13-7-10-20(17(22)16(13)19)11-8-18-15(21)5-4-14-3-2-12-23-14/h2-7,9-10,12H,8,11H2,1H3,(H,18,21)/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide has a molecular weight of 311.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 119104466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).