N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide

C27H32N4O3 — CID 153279469

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Nc3ccc(CN4CCOCC4)cc3)ccc2C)c(=O)[nH]1
InChIInChI=1S/C27H32N4O3/c1-18-4-7-23(30-22-8-5-21(6-9-22)17-31-10-12-34-13-11-31)15-24(18)26(32)28-16-25-19(2)14-20(3)29-27(25)33/h4-9,14-15,30H,10-13,16-17H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyVGWVTUXDFJAPQY-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.81
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide (PubChem CID 153279469) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide
PubChem CID153279469
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Nc3ccc(CN4CCOCC4)cc3)ccc2C)c(=O)[nH]1
InChIInChI=1S/C27H32N4O3/c1-18-4-7-23(30-22-8-5-21(6-9-22)17-31-10-12-34-13-11-31)15-24(18)26(32)28-16-25-19(2)14-20(3)29-27(25)33/h4-9,14-15,30H,10-13,16-17H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyVGWVTUXDFJAPQY-UHFFFAOYSA-N
XLogP3.81
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 70872589
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 70872340
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(2-methylpropanoyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 135249177
3-[cyclohexyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 70872406
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[4-(morpholin-4-ylmethyl)phenyl]-5-(oxan-4-yl)-3,4-dihydro-2H-1,5-benzoxazepine-9-carboxamide
CID 135564153
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]-3-[oxan-4-yl(1,1,2,2,2-pentadeuterioethyl)amino]benzamide
CID 71465172
3-[(4-acetamidocyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 70872509
N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 142367264
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide
CID 146587992
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 130459985
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide
CID 135280556

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide (CID 153279469) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide is Cc1cc(C)c(CNC(=O)c2cc(Nc3ccc(CN4CCOCC4)cc3)ccc2C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide?
The InChIKey is VGWVTUXDFJAPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-18-4-7-23(30-22-8-5-21(6-9-22)17-31-10-12-34-13-11-31)15-24(18)26(32)28-16-25-19(2)14-20(3)29-27(25)33/h4-9,14-15,30H,10-13,16-17H2,1-3H3,(H,28,32)(H,29,33).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide has a molecular weight of 460.58 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide is sourced from PubChem (CID 153279469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).