N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide

C17H26N4O3 — CID 166442532

IUPACN-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide
SMILESCC(C)N(C(=O)C(=O)Nc1cccnc1N1CCOCC1)C(C)C
InChIInChI=1S/C17H26N4O3/c1-12(2)21(13(3)4)17(23)16(22)19-14-6-5-7-18-15(14)20-8-10-24-11-9-20/h5-7,12-13H,8-11H2,1-4H3,(H,19,22)
InChIKeyXPMPIMSKOGJCRO-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.50
Rot. Bonds4

About N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide

N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide (PubChem CID 166442532) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide
PubChem CID166442532
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide
SMILESCC(C)N(C(=O)C(=O)Nc1cccnc1N1CCOCC1)C(C)C
InChIInChI=1S/C17H26N4O3/c1-12(2)21(13(3)4)17(23)16(22)19-14-6-5-7-18-15(14)20-8-10-24-11-9-20/h5-7,12-13H,8-11H2,1-4H3,(H,19,22)
InChIKeyXPMPIMSKOGJCRO-UHFFFAOYSA-N
XLogP1.50
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 120502859
2-methyl-3-(methylamino)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119845852
2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid
CID 122077569
3-amino-2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-phenylpropanamide
CID 119845839
N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 119845829
2-amino-N-(2-morpholin-4-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 119845832
(3S)-N-(2-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94641222
1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 86850082
2-morpholin-4-yl-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 84576378
4-amino-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119845870
3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide
CID 60576563
(E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 60576829

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide?
The IUPAC name of N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide (CID 166442532) is N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide?
The canonical SMILES for N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide is CC(C)N(C(=O)C(=O)Nc1cccnc1N1CCOCC1)C(C)C.
What is the InChIKey of N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide?
The InChIKey is XPMPIMSKOGJCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12(2)21(13(3)4)17(23)16(22)19-14-6-5-7-18-15(14)20-8-10-24-11-9-20/h5-7,12-13H,8-11H2,1-4H3,(H,19,22).
What are the key properties of N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide?
N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide has a molecular weight of 334.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide is sourced from PubChem (CID 166442532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).