N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide

C14H20BrN3O2 — CID 138042149

IUPACN-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCC(C)CC1COCCN1C(=O)Nc1ccncc1Br
InChIInChI=1S/C14H20BrN3O2/c1-10(2)7-11-9-20-6-5-18(11)14(19)17-13-3-4-16-8-12(13)15/h3-4,8,10-11H,5-7,9H2,1-2H3,(H,16,17,19)
InChIKeyNXDIFVSSCBGBLA-UHFFFAOYSA-N
MW342.24 g/mol
LogP3.12
Rot. Bonds3

About N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide

N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide (PubChem CID 138042149) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide
PubChem CID138042149
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC NameN-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCC(C)CC1COCCN1C(=O)Nc1ccncc1Br
InChIInChI=1S/C14H20BrN3O2/c1-10(2)7-11-9-20-6-5-18(11)14(19)17-13-3-4-16-8-12(13)15/h3-4,8,10-11H,5-7,9H2,1-2H3,(H,16,17,19)
InChIKeyNXDIFVSSCBGBLA-UHFFFAOYSA-N
XLogP3.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide
CID 71865558
N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794682
(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide
CID 95904886
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 91642758
(E)-1-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 95380663
(3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide
CID 97433996
N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide
CID 75374576
(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 96546401
(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904933
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904931
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794691

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide (CID 138042149) is N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide is CC(C)CC1COCCN1C(=O)Nc1ccncc1Br.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide?
The InChIKey is NXDIFVSSCBGBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-10(2)7-11-9-20-6-5-18(11)14(19)17-13-3-4-16-8-12(13)15/h3-4,8,10-11H,5-7,9H2,1-2H3,(H,16,17,19).
What are the key properties of N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide?
N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 138042149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).