N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide

C17H23N3O3 — CID 131688992

IUPACN-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide
SMILESO=C(NC1CC1)c1ccc2n1CCN(C(=O)C1CC(O)C1)CC2
InChIInChI=1S/C17H23N3O3/c21-14-9-11(10-14)17(23)19-6-5-13-3-4-15(20(13)8-7-19)16(22)18-12-1-2-12/h3-4,11-12,14,21H,1-2,5-10H2,(H,18,22)
InChIKeyIXDQUIKFFKXSIY-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.54
Rot. Bonds3

About N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide

N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide (PubChem CID 131688992) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide
PubChem CID131688992
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide
SMILESO=C(NC1CC1)c1ccc2n1CCN(C(=O)C1CC(O)C1)CC2
InChIInChI=1S/C17H23N3O3/c21-14-9-11(10-14)17(23)19-6-5-13-3-4-15(20(13)8-7-19)16(22)18-12-1-2-12/h3-4,11-12,14,21H,1-2,5-10H2,(H,18,22)
InChIKeyIXDQUIKFFKXSIY-UHFFFAOYSA-N
XLogP0.54
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide?
The IUPAC name of N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide (CID 131688992) is N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide is O=C(NC1CC1)c1ccc2n1CCN(C(=O)C1CC(O)C1)CC2.
What is the InChIKey of N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide?
The InChIKey is IXDQUIKFFKXSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-14-9-11(10-14)17(23)19-6-5-13-3-4-15(20(13)8-7-19)16(22)18-12-1-2-12/h3-4,11-12,14,21H,1-2,5-10H2,(H,18,22).
What are the key properties of N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide?
N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 131688992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).