(2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

C23H23N5O3 — CID 92610151

IUPAC(2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)c2cnccn2)CCO1
InChIInChI=1S/C23H23N5O3/c1-24-22(30)23(14-18-4-2-3-5-19(18)17-6-8-25-9-7-17)16-28(12-13-31-23)21(29)20-15-26-10-11-27-20/h2-11,15H,12-14,16H2,1H3,(H,24,30)/t23-/m1/s1
InChIKeyNRHRVNPNHAGNTE-HSZRJFAPSA-N
MW417.47 g/mol
LogP1.74
Rot. Bonds5

About (2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

(2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92610151) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is (2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92610151
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name(2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)c2cnccn2)CCO1
InChIInChI=1S/C23H23N5O3/c1-24-22(30)23(14-18-4-2-3-5-19(18)17-6-8-25-9-7-17)16-28(12-13-31-23)21(29)20-15-26-10-11-27-20/h2-11,15H,12-14,16H2,1H3,(H,24,30)/t23-/m1/s1
InChIKeyNRHRVNPNHAGNTE-HSZRJFAPSA-N
XLogP1.74
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232858
(2S)-N-ethyl-2-[(2-phenylphenyl)methyl]-4-(pyrazine-2-carbonyl)morpholine-2-carboxamide
CID 92592708
(2R)-N,N-dimethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605758
(2R)-4-(cyclohexanecarbonyl)-N-methyl-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610069
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553113
N-methyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232865
N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232882
(2R)-4-(2-methoxyacetyl)-N-methyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848813
(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605722
(2R)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605721
N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 129360850
N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232856

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (CID 92610151) is (2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)c2cnccn2)CCO1.
What is the InChIKey of (2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is NRHRVNPNHAGNTE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-24-22(30)23(14-18-4-2-3-5-19(18)17-6-8-25-9-7-17)16-28(12-13-31-23)21(29)20-15-26-10-11-27-20/h2-11,15H,12-14,16H2,1H3,(H,24,30)/t23-/m1/s1.
What are the key properties of (2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
(2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92610151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).