4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one

C23H29N3O3 — CID 172668924

IUPAC4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one
SMILESCc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C23H29N3O3/c1-18-8-10-25(12-11-24-13-15-29-16-14-24)22(27)21(18)23(28)26-9-4-7-19-5-2-3-6-20(19)17-26/h2-3,5-6,8,10H,4,7,9,11-17H2,1H3
InChIKeyCVVRJDQCHQCOHW-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.08
Rot. Bonds4

About 4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one

4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one (PubChem CID 172668924) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one
PubChem CID172668924
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one
SMILESCc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C23H29N3O3/c1-18-8-10-25(12-11-24-13-15-29-16-14-24)22(27)21(18)23(28)26-9-4-7-19-5-2-3-6-20(19)17-26/h2-3,5-6,8,10H,4,7,9,11-17H2,1H3
InChIKeyCVVRJDQCHQCOHW-UHFFFAOYSA-N
XLogP2.08
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one with MolForge

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Related Compounds

4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one
CID 172661079
2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 172666948
4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one
CID 172655374
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053296
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108960416
N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 172656685
4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664470
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 108973602
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 48642627
3,4-dihydro-1H-isoquinolin-2-yl-[5-(2-morpholin-4-ylethylamino)pyrazin-2-yl]methanone
CID 109277620
2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one
CID 162628333

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one?
The IUPAC name of 4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one (CID 172668924) is 4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one?
The canonical SMILES for 4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one is Cc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N1CCCc2ccccc2C1.
What is the InChIKey of 4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one?
The InChIKey is CVVRJDQCHQCOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18-8-10-25(12-11-24-13-15-29-16-14-24)22(27)21(18)23(28)26-9-4-7-19-5-2-3-6-20(19)17-26/h2-3,5-6,8,10H,4,7,9,11-17H2,1H3.
What are the key properties of 4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one?
4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one has a molecular weight of 395.50 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one is sourced from PubChem (CID 172668924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).