3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide

C24H25N5O3 — CID 75096033

IUPAC3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)c3cnc(C)nc3)cc(N3CCOCC3=O)c2)nc1
InChIInChI=1S/C24H25N5O3/c1-15-4-5-22(27-11-15)18-8-19(10-21(9-18)29-6-7-32-14-23(29)30)24(31)28-16(2)20-12-25-17(3)26-13-20/h4-5,8-13,16H,6-7,14H2,1-3H3,(H,28,31)
InChIKeyBNRIHPHEHZJNRD-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.01
Rot. Bonds5

About 3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide

3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide (PubChem CID 75096033) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide
PubChem CID75096033
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)c3cnc(C)nc3)cc(N3CCOCC3=O)c2)nc1
InChIInChI=1S/C24H25N5O3/c1-15-4-5-22(27-11-15)18-8-19(10-21(9-18)29-6-7-32-14-23(29)30)24(31)28-16(2)20-12-25-17(3)26-13-20/h4-5,8-13,16H,6-7,14H2,1-3H3,(H,28,31)
InChIKeyBNRIHPHEHZJNRD-UHFFFAOYSA-N
XLogP3.01
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide
CID 58188000
3-[2-(dimethylcarbamoyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide
CID 45137792
3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide
CID 75095972
3-(2-cyano-3-fluorophenyl)-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide
CID 45137790
3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-methylsulfonylbenzamide
CID 67053786
3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 118391476
3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
CID 76719433
3-(5-methyl-1,3-thiazol-2-yl)-5-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 175246403
N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide
CID 67507806
3-(5-methyl-2-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(1R)-1-pyrazin-2-ylethyl]benzamide
CID 70809971
3-[hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 58188017
[2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188050

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide?
The IUPAC name of 3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide (CID 75096033) is 3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide is Cc1ccc(-c2cc(C(=O)NC(C)c3cnc(C)nc3)cc(N3CCOCC3=O)c2)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide?
The InChIKey is BNRIHPHEHZJNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15-4-5-22(27-11-15)18-8-19(10-21(9-18)29-6-7-32-14-23(29)30)24(31)28-16(2)20-12-25-17(3)26-13-20/h4-5,8-13,16H,6-7,14H2,1-3H3,(H,28,31).
What are the key properties of 3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide?
3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide has a molecular weight of 431.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide is sourced from PubChem (CID 75096033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).