3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H20N4O2 — CID 90489328

IUPAC3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2[nH]c2ccccc32)c2c(C)noc2n1
InChIInChI=1S/C21H20N4O2/c1-11-10-15(18-12(2)25-27-21(18)22-11)20(26)24-17-9-5-7-14-13-6-3-4-8-16(13)23-19(14)17/h3-4,6,8,10,17,23H,5,7,9H2,1-2H3,(H,24,26)
InChIKeyAVUSYPLPCPNBLW-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.13
Rot. Bonds2

About 3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 90489328) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID90489328
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2[nH]c2ccccc32)c2c(C)noc2n1
InChIInChI=1S/C21H20N4O2/c1-11-10-15(18-12(2)25-27-21(18)22-11)20(26)24-17-9-5-7-14-13-6-3-4-8-16(13)23-19(14)17/h3-4,6,8,10,17,23H,5,7,9H2,1-2H3,(H,24,26)
InChIKeyAVUSYPLPCPNBLW-UHFFFAOYSA-N
XLogP4.13
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18142811
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide
CID 110207920
1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide
CID 75489945
3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97218365
3,6-dimethyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119388173
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 51965329
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 121239141
3,6-dimethyl-N-(2-methylpiperidin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120574234
3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide
CID 99755073
5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
CID 125432343
N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 97496950

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 90489328) is 3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCCc3c2[nH]c2ccccc32)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AVUSYPLPCPNBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-11-10-15(18-12(2)25-27-21(18)22-11)20(26)24-17-9-5-7-14-13-6-3-4-8-16(13)23-19(14)17/h3-4,6,8,10,17,23H,5,7,9H2,1-2H3,(H,24,26).
What are the key properties of 3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 90489328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).