N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide

C14H19N5O3 — CID 135492436

IUPACN,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide
SMILESCN(C)C(=O)c1nc2c(c(=O)[nH]1)C1CCCCN1C(=O)N2C
InChIInChI=1S/C14H19N5O3/c1-17(2)13(21)10-15-11-9(12(20)16-10)8-6-4-5-7-19(8)14(22)18(11)3/h8H,4-7H2,1-3H3,(H,15,16,20)
InChIKeyVUEQSRWOCGDYKR-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.57
Rot. Bonds1

About N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide

N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide (PubChem CID 135492436) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide.

Molecular Properties

Compound NameN,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide
PubChem CID135492436
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide
SMILESCN(C)C(=O)c1nc2c(c(=O)[nH]1)C1CCCCN1C(=O)N2C
InChIInChI=1S/C14H19N5O3/c1-17(2)13(21)10-15-11-9(12(20)16-10)8-6-4-5-7-19(8)14(22)18(11)3/h8H,4-7H2,1-3H3,(H,15,16,20)
InChIKeyVUEQSRWOCGDYKR-UHFFFAOYSA-N
XLogP0.57
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide with MolForge

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Related Compounds

8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione
CID 135464197
8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione
CID 135492572
5-(chloromethyl)-8-methyl-9-sulfanylidene-4,6,8,10-tetrazatricyclo[8.7.0.02,7]heptadeca-2(7),5-dien-3-one
CID 135484674
(5R)-N-ethyl-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028123
(5S)-N-ethyl-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875762
2-chloro-4-methyl-5,6a,7,8,9,10-hexahydropyrido[2,1-h]pteridin-6-one
CID 114044663
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 112569358
N,N-dimethyl-2-(1-pyrimidin-2-ylpiperidin-2-yl)-1,3-thiazole-5-carboxamide
CID 110095106
N,N-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 115575763
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide
CID 110194772

Frequently Asked Questions

What is the IUPAC name of N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide?
The IUPAC name of N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide (CID 135492436) is N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide.
What is the SMILES notation for N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide?
The canonical SMILES for N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide is CN(C)C(=O)c1nc2c(c(=O)[nH]1)C1CCCCN1C(=O)N2C.
What is the InChIKey of N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide?
The InChIKey is VUEQSRWOCGDYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-17(2)13(21)10-15-11-9(12(20)16-10)8-6-4-5-7-19(8)14(22)18(11)3/h8H,4-7H2,1-3H3,(H,15,16,20).
What are the key properties of N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide?
N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide is sourced from PubChem (CID 135492436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).