(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide

C16H25N3O2 — CID 94045824

IUPAC(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
SMILESCCC[C@@H](C)C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-3-5-13(2)16(20)18-12-14-6-4-7-17-15(14)19-8-10-21-11-9-19/h4,6-7,13H,3,5,8-12H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyROVAUPLDCVWENC-CYBMUJFWSA-N
MW291.39 g/mol
LogP1.97
Rot. Bonds6

About (2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide

(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide (PubChem CID 94045824) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
PubChem CID94045824
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
SMILESCCC[C@@H](C)C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-3-5-13(2)16(20)18-12-14-6-4-7-17-15(14)19-8-10-21-11-9-19/h4,6-7,13H,3,5,8-12H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyROVAUPLDCVWENC-CYBMUJFWSA-N
XLogP1.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911991
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 94029265
1-[1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42954650
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 86927668
(3R)-1-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39568663
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94059341
N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46580682
2-amino-N-(2-morpholin-4-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 119845832
1-amino-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847219
1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide?
The IUPAC name of (2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide (CID 94045824) is (2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide.
What is the SMILES notation for (2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide?
The canonical SMILES for (2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide is CCC[C@@H](C)C(=O)NCc1cccnc1N1CCOCC1.
What is the InChIKey of (2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide?
The InChIKey is ROVAUPLDCVWENC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-5-13(2)16(20)18-12-14-6-4-7-17-15(14)19-8-10-21-11-9-19/h4,6-7,13H,3,5,8-12H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide?
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide has a molecular weight of 291.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 94045824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).