4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C27H27N3O3 — CID 175295904

IUPAC4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1c(-c2cc(C)c3c(c2)[nH]c2ccc(C4=CCN(C(=O)O)CC4)cc23)cn(C)c(=O)c1C
InChIInChI=1S/C27H27N3O3/c1-15-11-20(22-14-29(4)26(31)17(3)16(22)2)13-24-25(15)21-12-19(5-6-23(21)28-24)18-7-9-30(10-8-18)27(32)33/h5-7,11-14,28H,8-10H2,1-4H3,(H,32,33)
InChIKeyOQIXRNDTDUNQOU-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.38
Rot. Bonds2

About 4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175295904) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175295904
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1c(-c2cc(C)c3c(c2)[nH]c2ccc(C4=CCN(C(=O)O)CC4)cc23)cn(C)c(=O)c1C
InChIInChI=1S/C27H27N3O3/c1-15-11-20(22-14-29(4)26(31)17(3)16(22)2)13-24-25(15)21-12-19(5-6-23(21)28-24)18-7-9-30(10-8-18)27(32)33/h5-7,11-14,28H,8-10H2,1-4H3,(H,32,33)
InChIKeyOQIXRNDTDUNQOU-UHFFFAOYSA-N
XLogP5.38
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175295904) is 4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is Cc1c(-c2cc(C)c3c(c2)[nH]c2ccc(C4=CCN(C(=O)O)CC4)cc23)cn(C)c(=O)c1C.
What is the InChIKey of 4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is OQIXRNDTDUNQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-15-11-20(22-14-29(4)26(31)17(3)16(22)2)13-24-25(15)21-12-19(5-6-23(21)28-24)18-7-9-30(10-8-18)27(32)33/h5-7,11-14,28H,8-10H2,1-4H3,(H,32,33).
What are the key properties of 4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 441.53 g/mol, XLogP of 5.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-7-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-9H-carbazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175295904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).