6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide

C31H32N4O4 — CID 154340926

IUPAC6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide
SMILESCCCN(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)C[C@H](O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C31H32N4O4/c1-2-16-35(18-21-10-13-24(14-11-21)39-29-15-12-22(17-33-29)31(32)37)19-23(36)20-38-28-9-5-8-27-30(28)25-6-3-4-7-26(25)34-27/h3-15,17,23,34,36H,2,16,18-20H2,1H3,(H2,32,37)/t23-/m0/s1
InChIKeyOBEFXHCTSLKCCB-QHCPKHFHSA-N
MW524.62 g/mol
LogP5.26
Rot. Bonds12

About 6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide

6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 154340926) has the molecular formula C31H32N4O4 and a molecular weight of 524.62 g/mol. Its IUPAC name is 6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide
PubChem CID154340926
Molecular FormulaC31H32N4O4
Molecular Weight524.62 g/mol
Exact Mass524.24
IUPAC Name6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide
SMILESCCCN(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)C[C@H](O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C31H32N4O4/c1-2-16-35(18-21-10-13-24(14-11-21)39-29-15-12-22(17-33-29)31(32)37)19-23(36)20-38-28-9-5-8-27-30(28)25-6-3-4-7-26(25)34-27/h3-15,17,23,34,36H,2,16,18-20H2,1H3,(H2,32,37)/t23-/m0/s1
InChIKeyOBEFXHCTSLKCCB-QHCPKHFHSA-N
XLogP5.26
TPSA113.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;methane
CID 159963015
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-[(5S)-6-(9H-carbazol-4-yloxy)-5-hydroxy-2,2-dimethylhexyl]phenoxy]pyridine-3-carbonitrile
CID 54464150
6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide
CID 54389450
6-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 21183054
1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol
CID 71210309
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
1-[benzyl-[2-(2-methoxyphenoxy)ethyl]amino]-3-(6,7,8,9-tetrahydro-5H-carbazol-4-yloxy)propan-2-ol
CID 71313936
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide (CID 154340926) is 6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide is CCCN(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)C[C@H](O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is OBEFXHCTSLKCCB-QHCPKHFHSA-N. The full InChI is InChI=1S/C31H32N4O4/c1-2-16-35(18-21-10-13-24(14-11-21)39-29-15-12-22(17-33-29)31(32)37)19-23(36)20-38-28-9-5-8-27-30(28)25-6-3-4-7-26(25)34-27/h3-15,17,23,34,36H,2,16,18-20H2,1H3,(H2,32,37)/t23-/m0/s1.
What are the key properties of 6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide?
6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 524.62 g/mol, XLogP of 5.26, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-propylamino]methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 154340926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).