6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane

C32H36N4O4 — CID 159963015

IUPAC6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane
SMILESC.CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NCC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C31H32N4O4.CH4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26;/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37);1H4
InChIKeyODONXZQEMNDZJV-UHFFFAOYSA-N
MW540.66 g/mol
LogP5.59
Rot. Bonds11

About 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane

6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane (PubChem CID 159963015) has the molecular formula C32H36N4O4 and a molecular weight of 540.66 g/mol. Its IUPAC name is 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane.

Molecular Properties

Compound Name6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane
PubChem CID159963015
Molecular FormulaC32H36N4O4
Molecular Weight540.66 g/mol
Exact Mass540.27
IUPAC Name6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane
SMILESC.CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NCC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C31H32N4O4.CH4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26;/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37);1H4
InChIKeyODONXZQEMNDZJV-UHFFFAOYSA-N
XLogP5.59
TPSA122.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 55.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane with MolForge

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Related Compounds

1-[6-[4-[2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]-3-pyridinyl]ethanone;hydrochloride
CID 90961494
1-[4-[4-[2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]phenyl]ethanone;1-[6-[4-[2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]-3-pyridinyl]ethanone;methane;dihydrochloride
CID 159918799
6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 21183054
6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]hexanamide
CID 22087198
6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 154340926
1-[6-[4-[2-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]-3-pyridinyl]ethanone
CID 54341948
6-[4-[2-[[(2S)-3-[[3-(cyclobutylmethyl)-2-oxo-1H-benzimidazol-4-yl]oxy]-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
CID 11548577
6-[4-[2-[[(2S)-3-[[3-(cyclopentylmethyl)-2-oxo-1H-benzimidazol-4-yl]oxy]-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
CID 58604525
[6-[4-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]-3-pyridinyl]-morpholin-4-ylmethanone
CID 22980235
6-[4-[(5S)-6-(9H-carbazol-4-yloxy)-5-hydroxy-2,2-dimethylhexyl]phenoxy]pyridine-3-carbonitrile
CID 54464150
6-[4-[2-methyl-2-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68746672
2-chloro-6-[4-[2-[[(2S)-3-[(2-cyano-1H-indol-4-yl)oxy]-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide
CID 10186880

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane?
The IUPAC name of 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane (CID 159963015) is 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane.
What is the SMILES notation for 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane?
The canonical SMILES for 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane is C.CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NCC(O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane?
The InChIKey is ODONXZQEMNDZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O4.CH4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26;/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37);1H4.
What are the key properties of 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane?
6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane has a molecular weight of 540.66 g/mol, XLogP of 5.59, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane is sourced from PubChem (CID 159963015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).