(4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone

C12H15FN2O — CID 116557323

IUPAC(4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone
SMILESNC1CCC(C(=O)c2ccncc2F)CC1
InChIInChI=1S/C12H15FN2O/c13-11-7-15-6-5-10(11)12(16)8-1-3-9(14)4-2-8/h5-9H,1-4,14H2
InChIKeyVKDPGJYIPAONEC-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.92
Rot. Bonds2

About (4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone

(4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone (PubChem CID 116557323) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone
PubChem CID116557323
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone
SMILESNC1CCC(C(=O)c2ccncc2F)CC1
InChIInChI=1S/C12H15FN2O/c13-11-7-15-6-5-10(11)12(16)8-1-3-9(14)4-2-8/h5-9H,1-4,14H2
InChIKeyVKDPGJYIPAONEC-UHFFFAOYSA-N
XLogP1.92
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(3-fluoro-4-pyridinyl)methanone
CID 119030457
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 113447198
N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
CID 64951103
(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105129285
cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115646155
(3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 79994306
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
3-fluoro-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 115646459
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124511893

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone (CID 116557323) is (4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone is NC1CCC(C(=O)c2ccncc2F)CC1.
What is the InChIKey of (4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is VKDPGJYIPAONEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-11-7-15-6-5-10(11)12(16)8-1-3-9(14)4-2-8/h5-9H,1-4,14H2.
What are the key properties of (4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone?
(4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 222.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 116557323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).