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

C20H23F3N4O3 — CID 56967013

IUPAC2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NC(C)c2ccc(OCCC(F)(F)F)nc2)ccn1
InChIInChI=1S/C20H23F3N4O3/c1-12(2)18(28)27-16-10-14(6-8-24-16)19(29)26-13(3)15-4-5-17(25-11-15)30-9-7-20(21,22)23/h4-6,8,10-13H,7,9H2,1-3H3,(H,26,29)(H,24,27,28)
InChIKeyGCJKAJOYWWPNSH-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.89
Rot. Bonds8

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

2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (PubChem CID 56967013) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
PubChem CID56967013
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Name2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NC(C)c2ccc(OCCC(F)(F)F)nc2)ccn1
InChIInChI=1S/C20H23F3N4O3/c1-12(2)18(28)27-16-10-14(6-8-24-16)19(29)26-13(3)15-4-5-17(25-11-15)30-9-7-20(21,22)23/h4-6,8,10-13H,7,9H2,1-3H3,(H,26,29)(H,24,27,28)
InChIKeyGCJKAJOYWWPNSH-UHFFFAOYSA-N
XLogP3.89
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-(2-methylpropanoylamino)-N-[1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67510831
2-(2-methylpropanoylamino)-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427280
2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 161116148
N-[1-[6-[2-(1,1-difluoroethyl)-2,3-dimethylbut-3-enoxy]-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566237
2-(cyclopropanecarbonylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511192
2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508895
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426753
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpyridine-4-carboxamide
CID 174687500
N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566129
2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 157284679
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 149045512
2-(2-oxopentyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 158848716

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (CID 56967013) is 2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is CC(C)C(=O)Nc1cc(C(=O)NC(C)c2ccc(OCCC(F)(F)F)nc2)ccn1.
What is the InChIKey of 2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The InChIKey is GCJKAJOYWWPNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-12(2)18(28)27-16-10-14(6-8-24-16)19(29)26-13(3)15-4-5-17(25-11-15)30-9-7-20(21,22)23/h4-6,8,10-13H,7,9H2,1-3H3,(H,26,29)(H,24,27,28).
What are the key properties of 2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 56967013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).