4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide

C18H19F2N3O2 — CID 97028949

IUPAC4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)ccn1
InChIInChI=1S/C18H19F2N3O2/c1-2-21-18(24)16-10-13(5-6-22-16)23-7-8-25-17(11-23)12-3-4-14(19)15(20)9-12/h3-6,9-10,17H,2,7-8,11H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyBWIJWKUYQHOBFR-KRWDZBQOSA-N
MW347.37 g/mol
LogP2.69
Rot. Bonds4

About 4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide

4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide (PubChem CID 97028949) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide
PubChem CID97028949
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)ccn1
InChIInChI=1S/C18H19F2N3O2/c1-2-21-18(24)16-10-13(5-6-22-16)23-7-8-25-17(11-23)12-3-4-14(19)15(20)9-12/h3-6,9-10,17H,2,7-8,11H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyBWIJWKUYQHOBFR-KRWDZBQOSA-N
XLogP2.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[2-(2-methylphenyl)morpholin-4-yl]pyridine-2-carboxamide
CID 133354183
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126
(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
CID 95179186
(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 99773840
6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889794
2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126774661
4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 66201616
1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone
CID 95175510
4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 97028948
N-ethyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853530

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide (CID 97028949) is 4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)ccn1.
What is the InChIKey of 4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide?
The InChIKey is BWIJWKUYQHOBFR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-2-21-18(24)16-10-13(5-6-22-16)23-7-8-25-17(11-23)12-3-4-14(19)15(20)9-12/h3-6,9-10,17H,2,7-8,11H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide?
4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 97028949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).