N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide

C21H23F3N6O — CID 148554468

IUPACN,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide
SMILESCC[C@@H](CCc1ccc(C(F)(F)F)nc1)N(C)C(=O)c1nc(C)ccc1-n1nccn1
InChIInChI=1S/C21H23F3N6O/c1-4-16(8-6-15-7-10-18(25-13-15)21(22,23)24)29(3)20(31)19-17(9-5-14(2)28-19)30-26-11-12-27-30/h5,7,9-13,16H,4,6,8H2,1-3H3/t16-/m0/s1
InChIKeyMTUDKIKBFKHSJW-INIZCTEOSA-N
MW432.45 g/mol
LogP3.87
Rot. Bonds7

About N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide

N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide (PubChem CID 148554468) has the molecular formula C21H23F3N6O and a molecular weight of 432.45 g/mol. Its IUPAC name is N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide
PubChem CID148554468
Molecular FormulaC21H23F3N6O
Molecular Weight432.45 g/mol
Exact Mass432.19
IUPAC NameN,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide
SMILESCC[C@@H](CCc1ccc(C(F)(F)F)nc1)N(C)C(=O)c1nc(C)ccc1-n1nccn1
InChIInChI=1S/C21H23F3N6O/c1-4-16(8-6-15-7-10-18(25-13-15)21(22,23)24)29(3)20(31)19-17(9-5-14(2)28-19)30-26-11-12-27-30/h5,7,9-13,16H,4,6,8H2,1-3H3/t16-/m0/s1
InChIKeyMTUDKIKBFKHSJW-INIZCTEOSA-N
XLogP3.87
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide
CID 146459137
5-chloro-N-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-yl]benzamide
CID 118917698
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1R,4R,6R)-4-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 57414754
tert-butyl N-[(2S)-2-cyclopropyl-2-[methyl-[6-methyl-3-(triazol-2-yl)pyridine-2-carbonyl]amino]ethyl]carbamate
CID 131998526
[(1S,3R,4S,6R)-3-ethyl-6-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 118939747
N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,2-dimethyl-5-(triazol-2-yl)pyrimidine-4-carboxamide
CID 131985588
N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 138555467
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1S,4S,6R)-6-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90414851
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide
CID 157142929
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(3S,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118951302

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide (CID 148554468) is N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide is CC[C@@H](CCc1ccc(C(F)(F)F)nc1)N(C)C(=O)c1nc(C)ccc1-n1nccn1.
What is the InChIKey of N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide?
The InChIKey is MTUDKIKBFKHSJW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-4-16(8-6-15-7-10-18(25-13-15)21(22,23)24)29(3)20(31)19-17(9-5-14(2)28-19)30-26-11-12-27-30/h5,7,9-13,16H,4,6,8H2,1-3H3/t16-/m0/s1.
What are the key properties of N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide?
N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-3-(triazol-2-yl)-N-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 148554468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).