N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

C21H25F3N4O3 — CID 67509182

IUPACN,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccc(OCC(F)(F)F)nc2)cc(NC(=O)C(C)C)n1
InChIInChI=1S/C21H25F3N4O3/c1-12(2)19(29)27-17-9-16(8-13(3)26-17)20(30)28(5)14(4)15-6-7-18(25-10-15)31-11-21(22,23)24/h6-10,12,14H,11H2,1-5H3,(H,26,27,29)
InChIKeySHHGQFRJRLZZMK-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.15
Rot. Bonds7

About N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (PubChem CID 67509182) has the molecular formula C21H25F3N4O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
PubChem CID67509182
Molecular FormulaC21H25F3N4O3
Molecular Weight438.45 g/mol
Exact Mass438.19
IUPAC NameN,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccc(OCC(F)(F)F)nc2)cc(NC(=O)C(C)C)n1
InChIInChI=1S/C21H25F3N4O3/c1-12(2)19(29)27-17-9-16(8-13(3)26-17)20(30)28(5)14(4)15-6-7-18(25-10-15)31-11-21(22,23)24/h6-10,12,14H,11H2,1-5H3,(H,26,27,29)
InChIKeySHHGQFRJRLZZMK-UHFFFAOYSA-N
XLogP4.15
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 159982999
2-acetamido-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511304
2-methyl-6-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508904
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509543
2-methyl-6-(2-methylpropanoylamino)-N-[[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426679
2-(cyclopentanecarbonylamino)-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67509297
2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508895
2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427220
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67509480
2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 67508998
2-methyl-6-(2-methylpropanoylamino)-N-[[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67511532
2-bromo-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87426946

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (CID 67509182) is N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)C(C)c2ccc(OCC(F)(F)F)nc2)cc(NC(=O)C(C)C)n1.
What is the InChIKey of N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The InChIKey is SHHGQFRJRLZZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O3/c1-12(2)19(29)27-17-9-16(8-13(3)26-17)20(30)28(5)14(4)15-6-7-18(25-10-15)31-11-21(22,23)24/h6-10,12,14H,11H2,1-5H3,(H,26,27,29).
What are the key properties of N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 67509182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).