N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide

C16H19N3O2 — CID 86207454

IUPACN-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
SMILESCc1noc2nc3c(c(C(=O)NC4CCCC4)c12)CCC3
InChIInChI=1S/C16H19N3O2/c1-9-13-14(15(20)17-10-5-2-3-6-10)11-7-4-8-12(11)18-16(13)21-19-9/h10H,2-8H2,1H3,(H,17,20)
InChIKeyDCGQZKWZCGMQNK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.69
Rot. Bonds2

About N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide

N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide (PubChem CID 86207454) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
PubChem CID86207454
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
SMILESCc1noc2nc3c(c(C(=O)NC4CCCC4)c12)CCC3
InChIInChI=1S/C16H19N3O2/c1-9-13-14(15(20)17-10-5-2-3-6-10)11-7-4-8-12(11)18-16(13)21-19-9/h10H,2-8H2,1H3,(H,17,20)
InChIKeyDCGQZKWZCGMQNK-UHFFFAOYSA-N
XLogP2.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The IUPAC name of N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide (CID 86207454) is N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The canonical SMILES for N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide is Cc1noc2nc3c(c(C(=O)NC4CCCC4)c12)CCC3.
What is the InChIKey of N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The InChIKey is DCGQZKWZCGMQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9-13-14(15(20)17-10-5-2-3-6-10)11-7-4-8-12(11)18-16(13)21-19-9/h10H,2-8H2,1H3,(H,17,20).
What are the key properties of N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide is sourced from PubChem (CID 86207454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).