N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine

C14H11F2N3 — CID 118272246

IUPACN-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine
SMILESC#Cc1cc(C)cc(Nc2cc(C(F)F)ccn2)n1
InChIInChI=1S/C14H11F2N3/c1-3-11-6-9(2)7-13(18-11)19-12-8-10(14(15)16)4-5-17-12/h1,4-8,14H,2H3,(H,17,18,19)
InChIKeyRSMAJJYFURCLJF-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.45
Rot. Bonds3

About N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine

N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine (PubChem CID 118272246) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine
PubChem CID118272246
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC NameN-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine
SMILESC#Cc1cc(C)cc(Nc2cc(C(F)F)ccn2)n1
InChIInChI=1S/C14H11F2N3/c1-3-11-6-9(2)7-13(18-11)19-12-8-10(14(15)16)4-5-17-12/h1,4-8,14H,2H3,(H,17,18,19)
InChIKeyRSMAJJYFURCLJF-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexyl]ethanone
CID 90380585
(1R)-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-[4-[[ethyl-di(propan-2-yl)azaniumyl]methoxycarbonyl]cyclohexyl]ethanolate
CID 75203798
piperidin-4-yl 4-[(1R)-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate
CID 75203671
1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone
CID 72550271
cis-(1S,4S)-4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxyethyl]-2,2-dimethylcyclohexane-1-carboxylic acid
CID 90092573
N-(3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 53414319
pentyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate
CID 70982747
1-ethoxycarbonyloxyethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate
CID 71468790
3-hydroxypropanoyloxymethyl 4-[(1R)-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate
CID 75202791
4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine
CID 130369699
[4-[(1R)-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexanecarbonyl]oxymethyl 4-hydroxybenzoate
CID 75203167
oxan-4-yl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-2-hydroxyethyl]cyclohexane-1-carboxylate
CID 70984469

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine?
The IUPAC name of N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine (CID 118272246) is N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine.
What is the SMILES notation for N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine?
The canonical SMILES for N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine is C#Cc1cc(C)cc(Nc2cc(C(F)F)ccn2)n1.
What is the InChIKey of N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine?
The InChIKey is RSMAJJYFURCLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-3-11-6-9(2)7-13(18-11)19-12-8-10(14(15)16)4-5-17-12/h1,4-8,14H,2H3,(H,17,18,19).
What are the key properties of N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine?
N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine has a molecular weight of 259.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine is sourced from PubChem (CID 118272246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).