N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

C24H29N3O7 — CID 42324800

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)N(C)[C@@H](C)c1ccco1)CCN(C(=O)C1=C(C)OCCO1)CC2
InChIInChI=1S/C24H29N3O7/c1-15(18-6-5-11-33-18)25(3)23(29)21-17-7-8-26(24(30)22-16(2)32-12-13-34-22)9-10-27(17)20(28)14-19(21)31-4/h5-6,11,14-15H,7-10,12-13H2,1-4H3/t15-/m0/s1
InChIKeyRCVPLLVMIHLBEK-HNNXBMFYSA-N
MW471.51 g/mol
LogP1.95
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide (PubChem CID 42324800) has the molecular formula C24H29N3O7 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
PubChem CID42324800
Molecular FormulaC24H29N3O7
Molecular Weight471.51 g/mol
Exact Mass471.20
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)N(C)[C@@H](C)c1ccco1)CCN(C(=O)C1=C(C)OCCO1)CC2
InChIInChI=1S/C24H29N3O7/c1-15(18-6-5-11-33-18)25(3)23(29)21-17-7-8-26(24(30)22-16(2)32-12-13-34-22)9-10-27(17)20(28)14-19(21)31-4/h5-6,11,14-15H,7-10,12-13H2,1-4H3/t15-/m0/s1
InChIKeyRCVPLLVMIHLBEK-HNNXBMFYSA-N
XLogP1.95
TPSA103.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(2-methylbenzoyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42163698
N-[(1R)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(1-methylcyclohexanecarbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42356930
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
N-[1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(2-methylbut-2-enyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 74843760
3-(2-chloropyridine-4-carbonyl)-N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 45167372
N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 29087998
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
N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-[(2,3,6-trifluorophenyl)methyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 45165793
10-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-9-methoxy-3-[(2S)-2-morpholin-4-ylpropanoyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepin-7-one
CID 29219546
9-methoxy-3-(2-phenoxypropanoyl)-10-(thiomorpholine-4-carbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepin-7-one
CID 45225462
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-fluorobenzoyl)-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42398232
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide (CID 42324800) is N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide is COc1cc(=O)n2c(c1C(=O)N(C)[C@@H](C)c1ccco1)CCN(C(=O)C1=C(C)OCCO1)CC2.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The InChIKey is RCVPLLVMIHLBEK-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H29N3O7/c1-15(18-6-5-11-33-18)25(3)23(29)21-17-7-8-26(24(30)22-16(2)32-12-13-34-22)9-10-27(17)20(28)14-19(21)31-4/h5-6,11,14-15H,7-10,12-13H2,1-4H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide is sourced from PubChem (CID 42324800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).