2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide

C19H25F2N5O2 — CID 121427020

IUPAC2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1OCC(F)F
InChIInChI=1S/C19H25F2N5O2/c1-5-26(10-9-25(4)19-23-13(2)11-14(3)24-19)18(27)15-7-6-8-22-17(15)28-12-16(20)21/h6-8,11,16H,5,9-10,12H2,1-4H3
InChIKeyZAXQKFPMGTZSLN-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.73
Rot. Bonds9

About 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide

2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide (PubChem CID 121427020) has the molecular formula C19H25F2N5O2 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide
PubChem CID121427020
Molecular FormulaC19H25F2N5O2
Molecular Weight393.44 g/mol
Exact Mass393.20
IUPAC Name2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1OCC(F)F
InChIInChI=1S/C19H25F2N5O2/c1-5-26(10-9-25(4)19-23-13(2)11-14(3)24-19)18(27)15-7-6-8-22-17(15)28-12-16(20)21/h6-8,11,16H,5,9-10,12H2,1-4H3
InChIKeyZAXQKFPMGTZSLN-UHFFFAOYSA-N
XLogP2.73
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide with MolForge

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Related Compounds

2-((3R,4S)-3-Fluoro-1-(2-(4-(trifluoromethoxy)phenyl)acetyl)piperidin-4-yloxy)-5-(1-methyl-1H-imidazol-4-yl)nicotinamide
CID 118167692
5-(1-Methylimidazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
CID 132014906
4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
CID 142609098
2-methoxy-5-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153384518
(2-Ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4881950
4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 44289422
N-[2-[2-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71449282
N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71451076
N-[2-[2-(2-methoxypyrimidin-5-yl)-6-methylphenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71451078
N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71460098
N-[2,2-difluoro-2-[3-(2-methoxypyrimidin-5-yl)-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71460109
2-ethoxy-N-(5-methylpyridin-2-yl)pyridine-3-carboxamide
CID 18106791

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide (CID 121427020) is 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide is CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide?
The InChIKey is ZAXQKFPMGTZSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O2/c1-5-26(10-9-25(4)19-23-13(2)11-14(3)24-19)18(27)15-7-6-8-22-17(15)28-12-16(20)21/h6-8,11,16H,5,9-10,12H2,1-4H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide?
2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 121427020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).