9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

C26H32N4O5 — CID 45213993

IUPAC9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(C(=O)CC1NC(=O)c3ccccc31)CC2
InChIInChI=1S/C26H32N4O5/c1-16(2)8-10-27-26(34)24-20-9-11-29(12-13-30(20)23(32)15-21(24)35-3)22(31)14-19-17-6-4-5-7-18(17)25(33)28-19/h4-7,15-16,19H,8-14H2,1-3H3,(H,27,34)(H,28,33)
InChIKeyDLROIWXEBGZYGZ-UHFFFAOYSA-N
MW480.57 g/mol
LogP1.89
Rot. Bonds7

About 9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide (PubChem CID 45213993) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide.

Molecular Properties

Compound Name9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
PubChem CID45213993
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(C(=O)CC1NC(=O)c3ccccc31)CC2
InChIInChI=1S/C26H32N4O5/c1-16(2)8-10-27-26(34)24-20-9-11-29(12-13-30(20)23(32)15-21(24)35-3)22(31)14-19-17-6-4-5-7-18(17)25(33)28-19/h4-7,15-16,19H,8-14H2,1-3H3,(H,27,34)(H,28,33)
InChIKeyDLROIWXEBGZYGZ-UHFFFAOYSA-N
XLogP1.89
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide with MolForge

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Related Compounds

3-[2-(benzotriazol-2-yl)acetyl]-9-methoxy-N-(3-methylbutyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42347745
(3R)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 7677868
3-(2-cyclohexylacetyl)-N-[1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 45188591
9-methoxy-N-[(4-methoxyphenyl)methyl]-3-(2-methylsulfanylacetyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42382229
(3S)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 7660229
N-[(3-fluorophenyl)methyl]-9-methoxy-3-(2-methylsulfanylbenzoyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 26348089
9-methoxy-N-[(2-methoxyphenyl)methyl]-7-oxo-3-(4-phenylbutan-2-yl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 45248499
N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 118759010
9-methoxy-7-oxo-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 26274520
3-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-9-methoxy-7-oxo-N-(thiophen-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42324177
(3S)-3-[2-[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 95399045
N-(furan-2-ylmethyl)-9-methoxy-7-oxo-3-(3-phenylprop-2-ynoyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42375744

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The IUPAC name of 9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide (CID 45213993) is 9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide.
What is the SMILES notation for 9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The canonical SMILES for 9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide is COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(C(=O)CC1NC(=O)c3ccccc31)CC2.
What is the InChIKey of 9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The InChIKey is DLROIWXEBGZYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-16(2)8-10-27-26(34)24-20-9-11-29(12-13-30(20)23(32)15-21(24)35-3)22(31)14-19-17-6-4-5-7-18(17)25(33)28-19/h4-7,15-16,19H,8-14H2,1-3H3,(H,27,34)(H,28,33).
What are the key properties of 9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide is sourced from PubChem (CID 45213993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).