N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide

C19H22FN3O — CID 113012101

IUPACN-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccc(F)cc2)nc1)C1CCCCC1
InChIInChI=1S/C19H22FN3O/c20-16-8-6-14(7-9-16)12-21-18-11-10-17(13-22-18)23-19(24)15-4-2-1-3-5-15/h6-11,13,15H,1-5,12H2,(H,21,22)(H,23,24)
InChIKeyXLXSOBYJNINPBA-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.35
Rot. Bonds5

About N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide

N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 113012101) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID113012101
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccc(F)cc2)nc1)C1CCCCC1
InChIInChI=1S/C19H22FN3O/c20-16-8-6-14(7-9-16)12-21-18-11-10-17(13-22-18)23-19(24)15-4-2-1-3-5-15/h6-11,13,15H,1-5,12H2,(H,21,22)(H,23,24)
InChIKeyXLXSOBYJNINPBA-UHFFFAOYSA-N
XLogP4.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028301
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113027864
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113010320
N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113015064
N-[6-(tert-butylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113014760
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113012244
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113010072
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
CID 166280251
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113027861

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide (CID 113012101) is N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide is O=C(Nc1ccc(NCc2ccc(F)cc2)nc1)C1CCCCC1.
What is the InChIKey of N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is XLXSOBYJNINPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-16-8-6-14(7-9-16)12-21-18-11-10-17(13-22-18)23-19(24)15-4-2-1-3-5-15/h6-11,13,15H,1-5,12H2,(H,21,22)(H,23,24).
What are the key properties of N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide?
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 327.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113012101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).