2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide

C18H24F3N3O2 — CID 67286745

IUPAC2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCCCC(F)(F)F
InChIInChI=1S/C18H24F3N3O2/c1-12-11-14(24-7-9-26-10-8-24)23-16(13-3-4-13)15(12)17(25)22-6-2-5-18(19,20)21/h11,13H,2-10H2,1H3,(H,22,25)
InChIKeyHBBWROKDDZEFRV-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.18
Rot. Bonds6

About 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide

2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide (PubChem CID 67286745) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
PubChem CID67286745
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCCCC(F)(F)F
InChIInChI=1S/C18H24F3N3O2/c1-12-11-14(24-7-9-26-10-8-24)23-16(13-3-4-13)15(12)17(25)22-6-2-5-18(19,20)21/h11,13H,2-10H2,1H3,(H,22,25)
InChIKeyHBBWROKDDZEFRV-UHFFFAOYSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25123711
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
2-cyclopropyl-N-[[(1S,2R)-2-hydroxy-cyclohexyl]-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 70816915
7-(4-Methylphenyl)-1-propyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2474394
N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-1,8-naphthyridin-4(1H)-on-3-carboxamide
CID 10091426
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-morpholin-4-yl-2-phenylpyridine-3-carboxamide
CID 44389662
N-[3,5-Bis(trifluoromethyl)benzyl]-2-methyl-6-(4-methylpiperazin-1-yl)-4-phenylnicotinamide
CID 54585202
2-(2,3-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 164614946
2-(2,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 164623187

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide (CID 67286745) is 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCCCC(F)(F)F.
What is the InChIKey of 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The InChIKey is HBBWROKDDZEFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-12-11-14(24-7-9-26-10-8-24)23-16(13-3-4-13)15(12)17(25)22-6-2-5-18(19,20)21/h11,13H,2-10H2,1H3,(H,22,25).
What are the key properties of 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 67286745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).