(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide

C18H28N4O3 — CID 95904886

IUPAC(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide
SMILESCC(C)C[C@H]1COCCN1C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H28N4O3/c1-14(2)11-16-13-25-10-7-22(16)18(23)20-15-3-4-17(19-12-15)21-5-8-24-9-6-21/h3-4,12,14,16H,5-11,13H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyFPYFHVFLKBDFLE-INIZCTEOSA-N
MW348.45 g/mol
LogP2.20
Rot. Bonds4

About (3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide

(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide (PubChem CID 95904886) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide
PubChem CID95904886
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide
SMILESCC(C)C[C@H]1COCCN1C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H28N4O3/c1-14(2)11-16-13-25-10-7-22(16)18(23)20-15-3-4-17(19-12-15)21-5-8-24-9-6-21/h3-4,12,14,16H,5-11,13H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyFPYFHVFLKBDFLE-INIZCTEOSA-N
XLogP2.20
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide with MolForge

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Related Compounds

1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-3-yl)urea
CID 46884549
(R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-3-yl)urea
CID 46884582
N-(6-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)acetamide
CID 2741630
4-(2-propoxyethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267771
N-(5-amino-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide
CID 45487760
(R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)urea
CID 46884591
N-[3-[[5-Cyclopropyl-2-[[6-(4-morpholinyl)-3-pyridinyl]amino]-4-pyrimidinyl]amino]propyl]cyclobutanecarboxamide
CID 59225285
N-(pyridin-2-yl)morpholine-4-carboxamide
CID 653226
6-(Morpholino)pyridin-3-amine
CID 104059
3-Amino-2-morpholin-4-ylpyridine
CID 2776573
(3r,4r)-3-(Cyclohexylmethoxy)piperidin-4-Yl]amino}-3-Methyl-1,2-Dihydro-1,7-Naphthyridin-2-One
CID 91826677
N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine
CID 155804527

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide?
The IUPAC name of (3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide (CID 95904886) is (3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide is CC(C)C[C@H]1COCCN1C(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of (3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide?
The InChIKey is FPYFHVFLKBDFLE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-14(2)11-16-13-25-10-7-22(16)18(23)20-15-3-4-17(19-12-15)21-5-8-24-9-6-21/h3-4,12,14,16H,5-11,13H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide?
(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide is sourced from PubChem (CID 95904886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).