N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide

C17H22N4O4 — CID 3871030

IUPACN-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCN2C(=O)C3CC(O)CN3C(=O)C2C1
InChIInChI=1S/C17H22N4O4/c1-19-5-2-3-12(19)15(23)18-10-4-6-20-13(7-10)17(25)21-9-11(22)8-14(21)16(20)24/h2-3,5,10-11,13-14,22H,4,6-9H2,1H3,(H,18,23)
InChIKeyJDKLGVAAUMBYCG-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.91
Rot. Bonds2

About N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide

N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 3871030) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide
PubChem CID3871030
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCN2C(=O)C3CC(O)CN3C(=O)C2C1
InChIInChI=1S/C17H22N4O4/c1-19-5-2-3-12(19)15(23)18-10-4-6-20-13(7-10)17(25)21-9-11(22)8-14(21)16(20)24/h2-3,5,10-11,13-14,22H,4,6-9H2,1H3,(H,18,23)
InChIKeyJDKLGVAAUMBYCG-UHFFFAOYSA-N
XLogP-0.91
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(7S,8aR)-1,3-dioxo-2-(4-propan-2-ylphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-1-methylpyrrole-2-carboxamide
CID 162812379
N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide
CID 3830993
N-[(7S,8aS)-1,3-dioxo-2-prop-2-enyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-1-methylpyrrole-2-carboxamide
CID 7050305
N-(6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl)-1-methylpyrrole-2-carboxamide
CID 3864330
N-(4-benzoyl-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl)-1-methylpyrrole-2-carboxamide
CID 3334015
N-[(3S,7S,10R,12S)-4-(3,3-dimethylbutanoyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-1-methylpyrrole-2-carboxamide
CID 11865960
N-[(3S,7R,10S,12R)-4-[(2S)-2-hydroxy-2-phenylacetyl]-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-1-methylpyrrole-2-carboxamide
CID 162801705
N-(6,12-dioxo-2-thiophen-2-yl-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl)-1-methylpyrrole-2-carboxamide
CID 3715641
N-[4-(1-methylpyrrole-2-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]benzamide
CID 3744024
N-[(6aR,8R)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-1-methylpyrrole-2-carboxamide
CID 163129546
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72844470
N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide
CID 126791351

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide (CID 3871030) is N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC1CCN2C(=O)C3CC(O)CN3C(=O)C2C1.
What is the InChIKey of N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is JDKLGVAAUMBYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-19-5-2-3-12(19)15(23)18-10-4-6-20-13(7-10)17(25)21-9-11(22)8-14(21)16(20)24/h2-3,5,10-11,13-14,22H,4,6-9H2,1H3,(H,18,23).
What are the key properties of N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide?
N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 3871030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).