9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

C27H31N3O4S — CID 42380118

IUPAC9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)N(C)Cc1ccsc1)CCN(C(=O)CCc1ccc(C)cc1)CC2
InChIInChI=1S/C27H31N3O4S/c1-19-4-6-20(7-5-19)8-9-24(31)29-12-10-22-26(23(34-3)16-25(32)30(22)14-13-29)27(33)28(2)17-21-11-15-35-18-21/h4-7,11,15-16,18H,8-10,12-14,17H2,1-3H3
InChIKeyNYYTXSLPGVUMNT-UHFFFAOYSA-N
MW493.63 g/mol
LogP3.52
Rot. Bonds7

About 9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide (PubChem CID 42380118) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide.

Molecular Properties

Compound Name9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
PubChem CID42380118
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)N(C)Cc1ccsc1)CCN(C(=O)CCc1ccc(C)cc1)CC2
InChIInChI=1S/C27H31N3O4S/c1-19-4-6-20(7-5-19)8-9-24(31)29-12-10-22-26(23(34-3)16-25(32)30(22)14-13-29)27(33)28(2)17-21-11-15-35-18-21/h4-7,11,15-16,18H,8-10,12-14,17H2,1-3H3
InChIKeyNYYTXSLPGVUMNT-UHFFFAOYSA-N
XLogP3.52
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42382918
9-methoxy-N-methyl-3-[2-(3-methylphenyl)acetyl]-7-oxo-N-(1,3-thiazol-4-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42500815
3-(2,4-dimethylbenzoyl)-9-methoxy-N-methyl-7-oxo-N-(1,3-thiazol-4-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42376812
1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 56819347
3-[(2,4-dimethylphenyl)methyl]-9-methoxy-N-methyl-7-oxo-N-(1,3-thiazol-4-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 30852325
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
methyl 3-[2-(4-methylsulfanylphenyl)acetyl]-7-oxo-9-(thiophen-3-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 42248254
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
9-methoxy-N-[(2-methoxyphenyl)methyl]-7-oxo-3-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 31015936
methyl 9-[2-(2-fluorophenyl)ethoxy]-7-oxo-3-(2-thiophen-3-ylacetyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 42449704
1-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 108569767
3-[(4-fluorophenyl)methyl]-9-methoxy-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 28957581

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The IUPAC name of 9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide (CID 42380118) is 9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide.
What is the SMILES notation for 9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The canonical SMILES for 9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide is COc1cc(=O)n2c(c1C(=O)N(C)Cc1ccsc1)CCN(C(=O)CCc1ccc(C)cc1)CC2.
What is the InChIKey of 9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The InChIKey is NYYTXSLPGVUMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-19-4-6-20(7-5-19)8-9-24(31)29-12-10-22-26(23(34-3)16-25(32)30(22)14-13-29)27(33)28(2)17-21-11-15-35-18-21/h4-7,11,15-16,18H,8-10,12-14,17H2,1-3H3.
What are the key properties of 9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide is sourced from PubChem (CID 42380118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).