N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide

C19H21F3N4O2 — CID 70234303

IUPACN-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cccc(C2=CCN(CC3CC(C(F)(F)F)=NO3)CC2)n1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)17-10-14(28-25-17)11-26-8-6-12(7-9-26)15-2-1-3-16(24-15)18(27)23-13-4-5-13/h1-3,6,13-14H,4-5,7-11H2,(H,23,27)
InChIKeyCCYCJRNWKWOBAK-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.77
Rot. Bonds5

About N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide

N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide (PubChem CID 70234303) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
PubChem CID70234303
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cccc(C2=CCN(CC3CC(C(F)(F)F)=NO3)CC2)n1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)17-10-14(28-25-17)11-26-8-6-12(7-9-26)15-2-1-3-16(24-15)18(27)23-13-4-5-13/h1-3,6,13-14H,4-5,7-11H2,(H,23,27)
InChIKeyCCYCJRNWKWOBAK-UHFFFAOYSA-N
XLogP2.77
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carboxamide
CID 143934489
N-cyclopropyl-6-[1-[methylidene-oxo-[3-(trifluoromethyl)phenyl]-λ6-sulfanyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
CID 162561080
6-N-cyclopropyl-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093944
N-cyclopropyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide;ethyl 2-bromo-2-[4-(trifluoromethoxy)phenyl]acetate;ethyl 2-[4-[6-(cyclopropylcarbamoyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-[4-(trifluoromethoxy)phenyl]acetate
CID 159498258
6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide
CID 117087014
N-cyclopropyl-6-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 117081828
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
tert-butyl 3-[6-(cyclopropylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 58296130
6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 62233843
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide (CID 70234303) is N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide is O=C(NC1CC1)c1cccc(C2=CCN(CC3CC(C(F)(F)F)=NO3)CC2)n1.
What is the InChIKey of N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The InChIKey is CCYCJRNWKWOBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c20-19(21,22)17-10-14(28-25-17)11-26-8-6-12(7-9-26)15-2-1-3-16(24-15)18(27)23-13-4-5-13/h1-3,6,13-14H,4-5,7-11H2,(H,23,27).
What are the key properties of N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[1-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 70234303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).