(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

C24H29N5O2 — CID 92595329

IUPAC(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cnn(C)c2C)CCO1
InChIInChI=1S/C24H29N5O2/c1-18-22(15-27-28(18)3)16-29-10-11-31-24(17-29,23(30)25-2)13-19-6-4-7-20(12-19)21-8-5-9-26-14-21/h4-9,12,14-15H,10-11,13,16-17H2,1-3H3,(H,25,30)/t24-/m1/s1
InChIKeyPGXJOUGZZFEXQB-XMMPIXPASA-N
MW419.53 g/mol
LogP2.35
Rot. Bonds6

About (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92595329) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92595329
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cnn(C)c2C)CCO1
InChIInChI=1S/C24H29N5O2/c1-18-22(15-27-28(18)3)16-29-10-11-31-24(17-29,23(30)25-2)13-19-6-4-7-20(12-19)21-8-5-9-26-14-21/h4-9,12,14-15H,10-11,13,16-17H2,1-3H3,(H,25,30)/t24-/m1/s1
InChIKeyPGXJOUGZZFEXQB-XMMPIXPASA-N
XLogP2.35
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610179
(2S)-N-methyl-4-[(3-methylphenyl)methyl]-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92560858
(2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610184
(2R)-N-methyl-4-(pyridin-2-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610175
(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610136
N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 110233229
(2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605794
4-(pyridin-2-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233044
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553097
N-methyl-4-[2-(4-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233019
N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233020
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610099

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 92595329) is (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cnn(C)c2C)CCO1.
What is the InChIKey of (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is PGXJOUGZZFEXQB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-22(15-27-28(18)3)16-29-10-11-31-24(17-29,23(30)25-2)13-19-6-4-7-20(12-19)21-8-5-9-26-14-21/h4-9,12,14-15H,10-11,13,16-17H2,1-3H3,(H,25,30)/t24-/m1/s1.
What are the key properties of (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92595329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).