N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine

C24H26FN3 — CID 145306896

IUPACN-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine
SMILESC/C=C/c1cncc(N(C)Cc2ccc(-c3ccc(N(C)C)cc3)cc2F)c1
InChIInChI=1S/C24H26FN3/c1-5-6-18-13-23(16-26-15-18)28(4)17-21-8-7-20(14-24(21)25)19-9-11-22(12-10-19)27(2)3/h5-16H,17H2,1-4H3/b6-5+
InChIKeyLQABSJAXEQVSIA-AATRIKPKSA-N
MW375.49 g/mol
LogP5.62
Rot. Bonds6

About N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine

N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine (PubChem CID 145306896) has the molecular formula C24H26FN3 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine
PubChem CID145306896
Molecular FormulaC24H26FN3
Molecular Weight375.49 g/mol
Exact Mass375.21
IUPAC NameN-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine
SMILESC/C=C/c1cncc(N(C)Cc2ccc(-c3ccc(N(C)C)cc3)cc2F)c1
InChIInChI=1S/C24H26FN3/c1-5-6-18-13-23(16-26-15-18)28(4)17-21-8-7-20(14-24(21)25)19-9-11-22(12-10-19)27(2)3/h5-16H,17H2,1-4H3/b6-5+
InChIKeyLQABSJAXEQVSIA-AATRIKPKSA-N
XLogP5.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine?
The IUPAC name of N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine (CID 145306896) is N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine.
What is the SMILES notation for N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine?
The canonical SMILES for N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine is C/C=C/c1cncc(N(C)Cc2ccc(-c3ccc(N(C)C)cc3)cc2F)c1.
What is the InChIKey of N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine?
The InChIKey is LQABSJAXEQVSIA-AATRIKPKSA-N. The full InChI is InChI=1S/C24H26FN3/c1-5-6-18-13-23(16-26-15-18)28(4)17-21-8-7-20(14-24(21)25)19-9-11-22(12-10-19)27(2)3/h5-16H,17H2,1-4H3/b6-5+.
What are the key properties of N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine?
N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine has a molecular weight of 375.49 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]-N-methyl-5-[(E)-prop-1-enyl]pyridin-3-amine is sourced from PubChem (CID 145306896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).