N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide

C21H25FN4O3 — CID 157015927

IUPACN-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NCc2cc(CNC(=O)Cc3ccc(F)cc3)ccn2)C1
InChIInChI=1S/C21H25FN4O3/c1-26-8-9-29-19(14-26)21(28)25-13-18-10-16(6-7-23-18)12-24-20(27)11-15-2-4-17(22)5-3-15/h2-7,10,19H,8-9,11-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyMYRJUUCOHQFEAG-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.03
Rot. Bonds7

About N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide

N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide (PubChem CID 157015927) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide
PubChem CID157015927
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC NameN-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NCc2cc(CNC(=O)Cc3ccc(F)cc3)ccn2)C1
InChIInChI=1S/C21H25FN4O3/c1-26-8-9-29-19(14-26)21(28)25-13-18-10-16(6-7-23-18)12-24-20(27)11-15-2-4-17(22)5-3-15/h2-7,10,19H,8-9,11-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyMYRJUUCOHQFEAG-UHFFFAOYSA-N
XLogP1.03
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-methyl-N-[[2-[[(2S)-4-methylmorpholine-2-carbonyl]amino]-4-pyridinyl]methyl]morpholine-2-carboxamide
CID 97353215
2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79077203
tert-butyl 5-[[(4-methylmorpholine-2-carbonyl)amino]methyl]-1,3-dihydroisoindole-2-carboxylate
CID 86817653
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide
CID 138993707
N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 124980906
4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide
CID 71984592
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 73168053
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 110782492
2-(4-bromophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79078303
2-(4-fluorophenyl)-N-(furan-3-ylmethyl)acetamide
CID 47285310
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
N-[2-(3,5-difluorophenoxy)phenyl]-4-methylmorpholine-2-carboxamide
CID 71919695

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide (CID 157015927) is N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)NCc2cc(CNC(=O)Cc3ccc(F)cc3)ccn2)C1.
What is the InChIKey of N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide?
The InChIKey is MYRJUUCOHQFEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-26-8-9-29-19(14-26)21(28)25-13-18-10-16(6-7-23-18)12-24-20(27)11-15-2-4-17(22)5-3-15/h2-7,10,19H,8-9,11-14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide?
N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 157015927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).