5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide

C24H24FN5O — CID 70979466

IUPAC5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC/C=C(\c1ccc(NC(=O)c2cncc(F)c2C)nc1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C24H24FN5O/c1-3-19(18-7-9-23(28-13-18)30-10-4-5-11-30)17-6-8-22(27-12-17)29-24(31)20-14-26-15-21(25)16(20)2/h3,6-9,12-15H,4-5,10-11H2,1-2H3,(H,27,29,31)/b19-3+
InChIKeyPUIWXZWHXRVFJB-QBROUFQSSA-N
MW417.49 g/mol
LogP4.62
Rot. Bonds5

About 5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide

5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 70979466) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID70979466
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC/C=C(\c1ccc(NC(=O)c2cncc(F)c2C)nc1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C24H24FN5O/c1-3-19(18-7-9-23(28-13-18)30-10-4-5-11-30)17-6-8-22(27-12-17)29-24(31)20-14-26-15-21(25)16(20)2/h3,6-9,12-15H,4-5,10-11H2,1-2H3,(H,27,29,31)/b19-3+
InChIKeyPUIWXZWHXRVFJB-QBROUFQSSA-N
XLogP4.62
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide (CID 70979466) is 5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide is C/C=C(\c1ccc(NC(=O)c2cncc(F)c2C)nc1)c1ccc(N2CCCC2)nc1.
What is the InChIKey of 5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is PUIWXZWHXRVFJB-QBROUFQSSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-3-19(18-7-9-23(28-13-18)30-10-4-5-11-30)17-6-8-22(27-12-17)29-24(31)20-14-26-15-21(25)16(20)2/h3,6-9,12-15H,4-5,10-11H2,1-2H3,(H,27,29,31)/b19-3+.
What are the key properties of 5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 70979466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).