2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C17H17F3N4O2 — CID 2811168

IUPAC2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1cccnc1N1CCOCC1
InChIInChI=1S/C17H17F3N4O2/c1-11-12(4-5-14(22-11)17(18,19)20)16(25)23-13-3-2-6-21-15(13)24-7-9-26-10-8-24/h2-6H,7-10H2,1H3,(H,23,25)
InChIKeyRKJUTBHIEQMNDQ-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.89
Rot. Bonds3

About 2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2811168) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2811168
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1cccnc1N1CCOCC1
InChIInChI=1S/C17H17F3N4O2/c1-11-12(4-5-14(22-11)17(18,19)20)16(25)23-13-3-2-6-21-15(13)24-7-9-26-10-8-24/h2-6H,7-10H2,1H3,(H,23,25)
InChIKeyRKJUTBHIEQMNDQ-UHFFFAOYSA-N
XLogP2.89
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

Pirenzepine
CID 4848
Unii-O3pen5V8WL
CID 453331
BI-1935
CID 57861407
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308
4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453335
N11-Ethyl-2,3,N5-trimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453341
2-Cyclopropyl-5,7-dimethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 463134
Dipyridodiazepinone deriv. 8
CID 463137
Dipyridodiazepinone deriv. 21
CID 463148
Dipyridodiazepinone deriv. 23
CID 463150
Dipyridodiazepinone deriv. 24
CID 463151

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 2811168) is 2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccnc1N1CCOCC1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RKJUTBHIEQMNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-11-12(4-5-14(22-11)17(18,19)20)16(25)23-13-3-2-6-21-15(13)24-7-9-26-10-8-24/h2-6H,7-10H2,1H3,(H,23,25).
What are the key properties of 2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2811168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).