6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride

C27H31ClN4O4 — CID 21183054

IUPAC6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
SMILESCC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NCC(O)COc1cccc2[nH]ccc12.Cl
InChIInChI=1S/C27H30N4O4.ClH/c1-27(2,31-16-20(32)17-34-24-5-3-4-23-22(24)12-13-29-23)14-18-6-9-21(10-7-18)35-25-11-8-19(15-30-25)26(28)33;/h3-13,15,20,29,31-32H,14,16-17H2,1-2H3,(H2,28,33);1H
InChIKeyMRQKWLBLPMZMQK-UHFFFAOYSA-N
MW511.02 g/mol
LogP4.23
Rot. Bonds11

About 6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride

6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride (PubChem CID 21183054) has the molecular formula C27H31ClN4O4 and a molecular weight of 511.02 g/mol. Its IUPAC name is 6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
PubChem CID21183054
Molecular FormulaC27H31ClN4O4
Molecular Weight511.02 g/mol
Exact Mass510.20
IUPAC Name6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
SMILESCC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NCC(O)COc1cccc2[nH]ccc12.Cl
InChIInChI=1S/C27H30N4O4.ClH/c1-27(2,31-16-20(32)17-34-24-5-3-4-23-22(24)12-13-29-23)14-18-6-9-21(10-7-18)35-25-11-8-19(15-30-25)26(28)33;/h3-13,15,20,29,31-32H,14,16-17H2,1-2H3,(H2,28,33);1H
InChIKeyMRQKWLBLPMZMQK-UHFFFAOYSA-N
XLogP4.23
TPSA122.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.02
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

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-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane
CID 159963015
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-[[(2S)-3-[[3-(cyclobutylmethyl)-2-oxo-1H-benzimidazol-4-yl]oxy]-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
CID 11548577
1-[6-[4-[2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]-3-pyridinyl]ethanone;hydrochloride
CID 90961494
ethyl 2-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxylate
CID 20750139
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-indazol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]-3-pyridinyl]-morpholin-4-ylmethanone
CID 22980235
6-[4-[2-methyl-2-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68746672
3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine
CID 142064608
2,2,2-trifluoro-N-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]acetamide
CID 542557
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-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride (CID 21183054) is 6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride is CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NCC(O)COc1cccc2[nH]ccc12.Cl.
What is the InChIKey of 6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride?
The InChIKey is MRQKWLBLPMZMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4.ClH/c1-27(2,31-16-20(32)17-34-24-5-3-4-23-22(24)12-13-29-23)14-18-6-9-21(10-7-18)35-25-11-8-19(15-30-25)26(28)33;/h3-13,15,20,29,31-32H,14,16-17H2,1-2H3,(H2,28,33);1H.
What are the key properties of 6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride?
6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride has a molecular weight of 511.02 g/mol, XLogP of 4.23, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 21183054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).