N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide

C25H27FN4O — CID 174378498

IUPACN-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide
SMILES[H]/N=C(/CCc1ccc(-c2cccc(N)n2)cc1)CC(C)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C25H27FN4O/c1-17(29-25(31)16-19-7-12-21(26)13-8-19)15-22(27)14-9-18-5-10-20(11-6-18)23-3-2-4-24(28)30-23/h2-8,10-13,17,27H,9,14-16H2,1H3,(H2,28,30)(H,29,31)/b27-22-
InChIKeyLGHBBEMHTRCFKJ-QYQHSDTDSA-N
MW418.52 g/mol
LogP4.56
Rot. Bonds9

About N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide

N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 174378498) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID174378498
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC NameN-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide
SMILES[H]/N=C(/CCc1ccc(-c2cccc(N)n2)cc1)CC(C)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C25H27FN4O/c1-17(29-25(31)16-19-7-12-21(26)13-8-19)15-22(27)14-9-18-5-10-20(11-6-18)23-3-2-4-24(28)30-23/h2-8,10-13,17,27H,9,14-16H2,1H3,(H2,28,30)(H,29,31)/b27-22-
InChIKeyLGHBBEMHTRCFKJ-QYQHSDTDSA-N
XLogP4.56
TPSA91.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide (CID 174378498) is N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide is [H]/N=C(/CCc1ccc(-c2cccc(N)n2)cc1)CC(C)NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is LGHBBEMHTRCFKJ-QYQHSDTDSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-17(29-25(31)16-19-7-12-21(26)13-8-19)15-22(27)14-9-18-5-10-20(11-6-18)23-3-2-4-24(28)30-23/h2-8,10-13,17,27H,9,14-16H2,1H3,(H2,28,30)(H,29,31)/b27-22-.
What are the key properties of N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide?
N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 418.52 g/mol, XLogP of 4.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 174378498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).