2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine

C19H24FN3 — CID 70317626

IUPAC2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine
SMILESCc1cc(F)cc(-c2ccc(N)c(NCC3CCCCC3)n2)c1
InChIInChI=1S/C19H24FN3/c1-13-9-15(11-16(20)10-13)18-8-7-17(21)19(23-18)22-12-14-5-3-2-4-6-14/h7-11,14H,2-6,12,21H2,1H3,(H,22,23)
InChIKeyUUPBZWYZBGSXOQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.77
Rot. Bonds4

About 2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine

2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine (PubChem CID 70317626) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine
PubChem CID70317626
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Name2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine
SMILESCc1cc(F)cc(-c2ccc(N)c(NCC3CCCCC3)n2)c1
InChIInChI=1S/C19H24FN3/c1-13-9-15(11-16(20)10-13)18-8-7-17(21)19(23-18)22-12-14-5-3-2-4-6-14/h7-11,14H,2-6,12,21H2,1H3,(H,22,23)
InChIKeyUUPBZWYZBGSXOQ-UHFFFAOYSA-N
XLogP4.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Blonanserin
CID 125564
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
3,6-dimethyl-4-N-(pentan-3-yl)-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-diamine
CID 21912204
N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 24764596
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 24798098
N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 45259040
N-{(3s,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 45259041
2-(Piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 46228433
N1-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)phenyl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91808024
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine (CID 70317626) is 2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine is Cc1cc(F)cc(-c2ccc(N)c(NCC3CCCCC3)n2)c1.
What is the InChIKey of 2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine?
The InChIKey is UUPBZWYZBGSXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3/c1-13-9-15(11-16(20)10-13)18-8-7-17(21)19(23-18)22-12-14-5-3-2-4-6-14/h7-11,14H,2-6,12,21H2,1H3,(H,22,23).
What are the key properties of 2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine?
2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine has a molecular weight of 313.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 70317626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).