2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

C21H22N6O3 — CID 131948314

IUPAC2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1noc2nc3c(c(C(=O)N4CCN(c5ncccc5C(N)=O)CC4)c12)CCC3
InChIInChI=1S/C21H22N6O3/c1-12-16-17(13-4-2-6-15(13)24-20(16)30-25-12)21(29)27-10-8-26(9-11-27)19-14(18(22)28)5-3-7-23-19/h3,5,7H,2,4,6,8-11H2,1H3,(H2,22,28)
InChIKeyFFNCPOCVSCDHNY-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.48
Rot. Bonds3

About 2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 131948314) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID131948314
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1noc2nc3c(c(C(=O)N4CCN(c5ncccc5C(N)=O)CC4)c12)CCC3
InChIInChI=1S/C21H22N6O3/c1-12-16-17(13-4-2-6-15(13)24-20(16)30-25-12)21(29)27-10-8-26(9-11-27)19-14(18(22)28)5-3-7-23-19/h3,5,7H,2,4,6,8-11H2,1H3,(H2,22,28)
InChIKeyFFNCPOCVSCDHNY-UHFFFAOYSA-N
XLogP1.48
TPSA118.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone
CID 70762974
(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone
CID 162628156
6-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 95711974
2-[4-(3,5-difluorobenzoyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 166195430
[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone
CID 135087749
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47087134
2-[4-(8-chloro-2-methylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 131918713
ethyl 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133470034
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133360498
2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 163318701
(2-fluorophenyl)-[4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 99844647
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 131948314) is 2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is Cc1noc2nc3c(c(C(=O)N4CCN(c5ncccc5C(N)=O)CC4)c12)CCC3.
What is the InChIKey of 2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is FFNCPOCVSCDHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-12-16-17(13-4-2-6-15(13)24-20(16)30-25-12)21(29)27-10-8-26(9-11-27)19-14(18(22)28)5-3-7-23-19/h3,5,7H,2,4,6,8-11H2,1H3,(H2,22,28).
What are the key properties of 2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 131948314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).