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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Related Compounds

N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide
CID 18414515
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 55033721
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758
6-[4-(4-fluorophenoxy)phenyl]pyridin-2-amine
CID 67981445
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 143420632
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 97331214
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 61120670
3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide
CID 38610317

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).