fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine

C23H36F2N4O — CID 145031959

IUPACfluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine
SMILESCCF.CF.Cc1ccccc1-c1cnc(C)c(NC2CCN(C)CC2)c1.NC=O
InChIInChI=1S/C19H25N3.C2H5F.CH3F.CH3NO/c1-14-6-4-5-7-18(14)16-12-19(15(2)20-13-16)21-17-8-10-22(3)11-9-17;1-2-3;1-2;2-1-3/h4-7,12-13,17,21H,8-11H2,1-3H3;2H2,1H3;1H3;1H,(H2,2,3)
InChIKeyPKMKFLVRZQOPDT-UHFFFAOYSA-N
MW422.56 g/mol
LogP4.53
Rot. Bonds3

About fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine

fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine (PubChem CID 145031959) has the molecular formula C23H36F2N4O and a molecular weight of 422.56 g/mol. Its IUPAC name is fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine.

Molecular Properties

Compound Namefluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine
PubChem CID145031959
Molecular FormulaC23H36F2N4O
Molecular Weight422.56 g/mol
Exact Mass422.29
IUPAC Namefluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine
SMILESCCF.CF.Cc1ccccc1-c1cnc(C)c(NC2CCN(C)CC2)c1.NC=O
InChIInChI=1S/C19H25N3.C2H5F.CH3F.CH3NO/c1-14-6-4-5-7-18(14)16-12-19(15(2)20-13-16)21-17-8-10-22(3)11-9-17;1-2-3;1-2;2-1-3/h4-7,12-13,17,21H,8-11H2,1-3H3;2H2,1H3;1H3;1H,(H2,2,3)
InChIKeyPKMKFLVRZQOPDT-UHFFFAOYSA-N
XLogP4.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tagorizine
CID 6436051
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CID 18753314
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-[6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carboxamide
CID 11155655
N-Arylpiperazine-1-carboxamide Derivative, 32
CID 11697622
1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862
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CID 57345320
((R)-8-(4-(trifluoromethyl)phenyl)-N-((S)-1,1,1-trifluoropropan-2-yl)-5,6-dihydro-1,7-naphthyridine-
CID 90655362
N-(2-pyridinylmethyl)-N-{4-[4,7,10,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl]benzyl}amine
CID 503778
4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-N-[(3,5-dimethylphenyl)methyl]pyridin-3-amine
CID 90070268
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(2-methylpyridin-3-yl)piperazine-1-carboxamide
CID 11575288
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(6-methylpyridin-3-yl)piperazine-1-carboxamide
CID 11668856
3-[5-(4-Fluorophenyl)-3-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane
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Frequently Asked Questions

What is the IUPAC name of fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine?
The IUPAC name of fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine (CID 145031959) is fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine.
What is the SMILES notation for fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine?
The canonical SMILES for fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine is CCF.CF.Cc1ccccc1-c1cnc(C)c(NC2CCN(C)CC2)c1.NC=O.
What is the InChIKey of fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine?
The InChIKey is PKMKFLVRZQOPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3.C2H5F.CH3F.CH3NO/c1-14-6-4-5-7-18(14)16-12-19(15(2)20-13-16)21-17-8-10-22(3)11-9-17;1-2-3;1-2;2-1-3/h4-7,12-13,17,21H,8-11H2,1-3H3;2H2,1H3;1H3;1H,(H2,2,3).
What are the key properties of fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine?
fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine has a molecular weight of 422.56 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;fluoromethane;formamide;2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine is sourced from PubChem (CID 145031959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).