2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide

C19H21F3N4O2 — CID 67508766

IUPAC2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NCc2ccc(CCC(F)(F)F)nc2)ccn1
InChIInChI=1S/C19H21F3N4O2/c1-12(2)17(27)26-16-9-14(6-8-23-16)18(28)25-11-13-3-4-15(24-10-13)5-7-19(20,21)22/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,25,28)(H,23,26,27)
InChIKeyGCYNBPMVOYZXQO-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.50
Rot. Bonds7

About 2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide

2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 67508766) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID67508766
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NCc2ccc(CCC(F)(F)F)nc2)ccn1
InChIInChI=1S/C19H21F3N4O2/c1-12(2)17(27)26-16-9-14(6-8-23-16)18(28)25-11-13-3-4-15(24-10-13)5-7-19(20,21)22/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,25,28)(H,23,26,27)
InChIKeyGCYNBPMVOYZXQO-UHFFFAOYSA-N
XLogP3.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510384
2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 162566186
2-(2-methylpropanoylamino)-N-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426299
2-(2-methylpropanoylamino)-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509985
N-[[4-(2,2-difluorobutoxy)-3-methoxyphenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566329
N-[[6-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566194
2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489
2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 56967013
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 67511291
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 67508766) is 2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide is CC(C)C(=O)Nc1cc(C(=O)NCc2ccc(CCC(F)(F)F)nc2)ccn1.
What is the InChIKey of 2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is GCYNBPMVOYZXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-12(2)17(27)26-16-9-14(6-8-23-16)18(28)25-11-13-3-4-15(24-10-13)5-7-19(20,21)22/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,25,28)(H,23,26,27).
What are the key properties of 2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide?
2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 67508766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).