(2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide

C17H21N5O3 — CID 124939923

IUPAC(2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(C)CN(C(=O)c2ccc(-n3ccnc3)nc2)CCO1
InChIInChI=1S/C17H21N5O3/c1-17(16(24)20(2)3)11-21(8-9-25-17)15(23)13-4-5-14(19-10-13)22-7-6-18-12-22/h4-7,10,12H,8-9,11H2,1-3H3/t17-/m1/s1
InChIKeyACRQWTOSUPINTF-QGZVFWFLSA-N
MW343.39 g/mol
LogP0.59
Rot. Bonds3

About (2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide

(2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide (PubChem CID 124939923) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide
PubChem CID124939923
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(C)CN(C(=O)c2ccc(-n3ccnc3)nc2)CCO1
InChIInChI=1S/C17H21N5O3/c1-17(16(24)20(2)3)11-21(8-9-25-17)15(23)13-4-5-14(19-10-13)22-7-6-18-12-22/h4-7,10,12H,8-9,11H2,1-3H3/t17-/m1/s1
InChIKeyACRQWTOSUPINTF-QGZVFWFLSA-N
XLogP0.59
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 110253416
(6-imidazol-1-yl-3-pyridinyl)-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95586250
(6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48689832
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
(6-imidazol-1-yl-3-pyridinyl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124963732
(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 119580052
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
(6-imidazol-1-yl-3-pyridinyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105279
(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 56817726
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 38210690
(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921306

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide (CID 124939923) is (2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide is CN(C)C(=O)[C@@]1(C)CN(C(=O)c2ccc(-n3ccnc3)nc2)CCO1.
What is the InChIKey of (2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide?
The InChIKey is ACRQWTOSUPINTF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-17(16(24)20(2)3)11-21(8-9-25-17)15(23)13-4-5-14(19-10-13)22-7-6-18-12-22/h4-7,10,12H,8-9,11H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide?
(2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide is sourced from PubChem (CID 124939923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).