3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide

C14H17FN4 — CID 126499908

IUPAC3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide
SMILESCCc1ccn(C)c1/C(=N\C)Nc1ccncc1F
InChIInChI=1S/C14H17FN4/c1-4-10-6-8-19(3)13(10)14(16-2)18-12-5-7-17-9-11(12)15/h5-9H,4H2,1-3H3,(H,16,17,18)
InChIKeyJSUGOCAEOKCBBT-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.61
Rot. Bonds3

About 3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide

3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide (PubChem CID 126499908) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide.

Molecular Properties

Compound Name3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide
PubChem CID126499908
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide
SMILESCCc1ccn(C)c1/C(=N\C)Nc1ccncc1F
InChIInChI=1S/C14H17FN4/c1-4-10-6-8-19(3)13(10)14(16-2)18-12-5-7-17-9-11(12)15/h5-9H,4H2,1-3H3,(H,16,17,18)
InChIKeyJSUGOCAEOKCBBT-UHFFFAOYSA-N
XLogP2.61
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea
CID 103886199
ethyl 2-[(3-fluoro-4-pyridinyl)amino]-2-oxoacetate
CID 107595257
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CID 107595018
N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide
CID 122132753
2-bromo-N-(3-fluoro-4-pyridinyl)-3-methylbutanamide
CID 107594812
2,2-difluoro-N-(3-fluoro-4-pyridinyl)acetamide
CID 107595585
N-(3-fluoro-4-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 75482660
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
N-(3-fluoro-4-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 113342447
N-(3-fluoro-4-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103946349
N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 103886195
1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide
CID 154764359

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide?
The IUPAC name of 3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide (CID 126499908) is 3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide.
What is the SMILES notation for 3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide?
The canonical SMILES for 3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide is CCc1ccn(C)c1/C(=N\C)Nc1ccncc1F.
What is the InChIKey of 3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide?
The InChIKey is JSUGOCAEOKCBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-4-10-6-8-19(3)13(10)14(16-2)18-12-5-7-17-9-11(12)15/h5-9H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide?
3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide has a molecular weight of 260.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide is sourced from PubChem (CID 126499908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).