5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide

C19H20FN3O2 — CID 121293770

IUPAC5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide
SMILESC=CC(=O)N1CC=C(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)CC1
InChIInChI=1S/C19H20FN3O2/c1-4-15(24)23-7-5-12(6-8-23)17-14(20)9-13(19(21)25)18-16(17)10(2)11(3)22-18/h4-5,9,22H,1,6-8H2,2-3H3,(H2,21,25)
InChIKeyDVUBXBJSFDKINA-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.82
Rot. Bonds3

About 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide

5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide (PubChem CID 121293770) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide
PubChem CID121293770
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide
SMILESC=CC(=O)N1CC=C(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)CC1
InChIInChI=1S/C19H20FN3O2/c1-4-15(24)23-7-5-12(6-8-23)17-14(20)9-13(19(21)25)18-16(17)10(2)11(3)22-18/h4-5,9,22H,1,6-8H2,2-3H3,(H2,21,25)
InChIKeyDVUBXBJSFDKINA-UHFFFAOYSA-N
XLogP2.82
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide (CID 121293770) is 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide is C=CC(=O)N1CC=C(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)CC1.
What is the InChIKey of 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide?
The InChIKey is DVUBXBJSFDKINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-4-15(24)23-7-5-12(6-8-23)17-14(20)9-13(19(21)25)18-16(17)10(2)11(3)22-18/h4-5,9,22H,1,6-8H2,2-3H3,(H2,21,25).
What are the key properties of 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide?
5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 121293770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).