N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide

C19H21F3N8O — CID 146459137

IUPACN,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N(C)C(C)CCNc2ncc(C(F)(F)F)cn2)n1
InChIInChI=1S/C19H21F3N8O/c1-12-4-5-15(30-26-8-9-27-30)16(28-12)17(31)29(3)13(2)6-7-23-18-24-10-14(11-25-18)19(20,21)22/h4-5,8-11,13H,6-7H2,1-3H3,(H,23,24,25)
InChIKeyRADIITRTCDCENU-UHFFFAOYSA-N
MW434.43 g/mol
LogP2.74
Rot. Bonds7

About N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide

N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide (PubChem CID 146459137) has the molecular formula C19H21F3N8O and a molecular weight of 434.43 g/mol. Its IUPAC name is N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide
PubChem CID146459137
Molecular FormulaC19H21F3N8O
Molecular Weight434.43 g/mol
Exact Mass434.18
IUPAC NameN,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N(C)C(C)CCNc2ncc(C(F)(F)F)cn2)n1
InChIInChI=1S/C19H21F3N8O/c1-12-4-5-15(30-26-8-9-27-30)16(28-12)17(31)29(3)13(2)6-7-23-18-24-10-14(11-25-18)19(20,21)22/h4-5,8-11,13H,6-7H2,1-3H3,(H,23,24,25)
InChIKeyRADIITRTCDCENU-UHFFFAOYSA-N
XLogP2.74
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[2-methoxyethyl-[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]-N,6-dimethyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 131985650
N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide
CID 148554468
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 130341769
tert-butyl N-[(2S)-2-cyclopropyl-2-[methyl-[6-methyl-3-(triazol-2-yl)pyridine-2-carbonyl]amino]ethyl]carbamate
CID 131998526
N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide
CID 146589121
N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 138555467
N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
CID 160569720
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129026004
[(1S,6R)-3-(2-methylpropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 118951682
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(4S)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 162542859
6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide
CID 139504749
N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide
CID 146589961

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide (CID 146459137) is N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide is Cc1ccc(-n2nccn2)c(C(=O)N(C)C(C)CCNc2ncc(C(F)(F)F)cn2)n1.
What is the InChIKey of N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide?
The InChIKey is RADIITRTCDCENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8O/c1-12-4-5-15(30-26-8-9-27-30)16(28-12)17(31)29(3)13(2)6-7-23-18-24-10-14(11-25-18)19(20,21)22/h4-5,8-11,13H,6-7H2,1-3H3,(H,23,24,25).
What are the key properties of N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide?
N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide has a molecular weight of 434.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146459137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).