3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide

C36H46N4O5 — CID 155165077

IUPAC3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide
SMILESCCN(c1cc(-c2ccc3c(c2)C(N2CCOCC2)CC3)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C36H46N4O5/c1-5-40(28-10-14-44-15-11-28)33-21-27(26-7-6-25-8-9-32(30(25)19-26)39-12-16-45-17-13-39)20-29(24(33)3)35(41)37-22-31-34(43-4)18-23(2)38-36(31)42/h6-7,18-21,28,32H,5,8-17,22H2,1-4H3,(H,37,41)(H,38,42)
InChIKeyREYXHNVDPHJGIC-UHFFFAOYSA-N
MW614.79 g/mol
LogP4.92
Rot. Bonds9

About 3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide

3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide (PubChem CID 155165077) has the molecular formula C36H46N4O5 and a molecular weight of 614.79 g/mol. Its IUPAC name is 3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide.

Molecular Properties

Compound Name3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide
PubChem CID155165077
Molecular FormulaC36H46N4O5
Molecular Weight614.79 g/mol
Exact Mass614.35
IUPAC Name3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide
SMILESCCN(c1cc(-c2ccc3c(c2)C(N2CCOCC2)CC3)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C36H46N4O5/c1-5-40(28-10-14-44-15-11-28)33-21-27(26-7-6-25-8-9-32(30(25)19-26)39-12-16-45-17-13-39)20-29(24(33)3)35(41)37-22-31-34(43-4)18-23(2)38-36(31)42/h6-7,18-21,28,32H,5,8-17,22H2,1-4H3,(H,37,41)(H,38,42)
InChIKeyREYXHNVDPHJGIC-UHFFFAOYSA-N
XLogP4.92
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.79
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

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CID 70872412
3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1-methyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)methyl]-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
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N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide
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3-[cyclobutanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
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3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
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3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 135249081
3-[cyclohexanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 135249155
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
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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide?
The IUPAC name of 3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide (CID 155165077) is 3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide.
What is the SMILES notation for 3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide?
The canonical SMILES for 3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide is CCN(c1cc(-c2ccc3c(c2)C(N2CCOCC2)CC3)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.
What is the InChIKey of 3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide?
The InChIKey is REYXHNVDPHJGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46N4O5/c1-5-40(28-10-14-44-15-11-28)33-21-27(26-7-6-25-8-9-32(30(25)19-26)39-12-16-45-17-13-39)20-29(24(33)3)35(41)37-22-31-34(43-4)18-23(2)38-36(31)42/h6-7,18-21,28,32H,5,8-17,22H2,1-4H3,(H,37,41)(H,38,42).
What are the key properties of 3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide?
3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide has a molecular weight of 614.79 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide is sourced from PubChem (CID 155165077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).