6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C20H21F3N4O3 — CID 87001389

IUPAC6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2C(F)(F)F)cn1
InChIInChI=1S/C20H21F3N4O3/c1-27(2)17-8-5-12(11-24-17)18(28)26-15-7-6-13(10-14(15)20(21,22)23)25-19(29)16-4-3-9-30-16/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyBUECMVBBNTYUGR-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.54
Rot. Bonds5

About 6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 87001389) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID87001389
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2C(F)(F)F)cn1
InChIInChI=1S/C20H21F3N4O3/c1-27(2)17-8-5-12(11-24-17)18(28)26-15-7-6-13(10-14(15)20(21,22)23)25-19(29)16-4-3-9-30-16/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyBUECMVBBNTYUGR-UHFFFAOYSA-N
XLogP3.54
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55781927
N-[4-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886392
N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 55782053
(2R)-N-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 51958687
N-[4-[(4-chloro-3-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782239
N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781948
N-[4-[[3-(cyanomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886992
N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781928
ethyl 2-methyl-6-[[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55782300
6-methyl-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55782305
N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide
CID 17362172
N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781980

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 87001389) is 6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CN(C)c1ccc(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2C(F)(F)F)cn1.
What is the InChIKey of 6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is BUECMVBBNTYUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-27(2)17-8-5-12(11-24-17)18(28)26-15-7-6-13(10-14(15)20(21,22)23)25-19(29)16-4-3-9-30-16/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 87001389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).