6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide

C20H19FN4O — CID 167766392

IUPAC6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide
SMILESCN(C(=O)c1cncc2ccc(F)cc12)C1CCN(c2ccncc2)C1
InChIInChI=1S/C20H19FN4O/c1-24(17-6-9-25(13-17)16-4-7-22-8-5-16)20(26)19-12-23-11-14-2-3-15(21)10-18(14)19/h2-5,7-8,10-12,17H,6,9,13H2,1H3
InChIKeyDQOJDOXOLMQXNT-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.12
Rot. Bonds3

About 6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide

6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide (PubChem CID 167766392) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide
PubChem CID167766392
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide
SMILESCN(C(=O)c1cncc2ccc(F)cc12)C1CCN(c2ccncc2)C1
InChIInChI=1S/C20H19FN4O/c1-24(17-6-9-25(13-17)16-4-7-22-8-5-16)20(26)19-12-23-11-14-2-3-15(21)10-18(14)19/h2-5,7-8,10-12,17H,6,9,13H2,1H3
InChIKeyDQOJDOXOLMQXNT-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide (CID 167766392) is 6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide is CN(C(=O)c1cncc2ccc(F)cc12)C1CCN(c2ccncc2)C1.
What is the InChIKey of 6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide?
The InChIKey is DQOJDOXOLMQXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-24(17-6-9-25(13-17)16-4-7-22-8-5-16)20(26)19-12-23-11-14-2-3-15(21)10-18(14)19/h2-5,7-8,10-12,17H,6,9,13H2,1H3.
What are the key properties of 6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide?
6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide is sourced from PubChem (CID 167766392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).