2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide

C20H27F2N5O3 — CID 121416879

IUPAC2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1cccnc1OCC(F)F
InChIInChI=1S/C20H27F2N5O3/c1-5-27(18(28)14-7-6-9-23-17(14)30-13-16(21)22)12-11-26(4)19-24-10-8-15(25-19)20(2,3)29/h6-10,16,29H,5,11-13H2,1-4H3
InChIKeyPAWCWJGVSZQEKW-UHFFFAOYSA-N
MW423.46 g/mol
LogP2.34
Rot. Bonds10

About 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide

2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide (PubChem CID 121416879) has the molecular formula C20H27F2N5O3 and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide
PubChem CID121416879
Molecular FormulaC20H27F2N5O3
Molecular Weight423.46 g/mol
Exact Mass423.21
IUPAC Name2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1cccnc1OCC(F)F
InChIInChI=1S/C20H27F2N5O3/c1-5-27(18(28)14-7-6-9-23-17(14)30-13-16(21)22)12-11-26(4)19-24-10-8-15(25-19)20(2,3)29/h6-10,16,29H,5,11-13H2,1-4H3
InChIKeyPAWCWJGVSZQEKW-UHFFFAOYSA-N
XLogP2.34
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 121427075
2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide
CID 121416907
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120519705
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methoxypyridine-3-carboxamide
CID 107483009
N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide
CID 121413896
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482
N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 167886364
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide
CID 121427025
2-ethoxy-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 134005816
2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide
CID 75434206

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide (CID 121416879) is 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide is CCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1cccnc1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is PAWCWJGVSZQEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O3/c1-5-27(18(28)14-7-6-9-23-17(14)30-13-16(21)22)12-11-26(4)19-24-10-8-15(25-19)20(2,3)29/h6-10,16,29H,5,11-13H2,1-4H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide?
2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 423.46 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 121416879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).