5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide

C27H28N4O2 — CID 14625874

IUPAC5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccncc2)c2c(CN3CCCCC3)c(O)ccc2n1-c1ccccc1
InChIInChI=1S/C27H28N4O2/c1-19-25(27(33)29-20-12-14-28-15-13-20)26-22(18-30-16-6-3-7-17-30)24(32)11-10-23(26)31(19)21-8-4-2-5-9-21/h2,4-5,8-15,32H,3,6-7,16-18H2,1H3,(H,28,29,33)
InChIKeyFFXWERFSKUHXEK-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.28
Rot. Bonds5

About 5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide

5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide (PubChem CID 14625874) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide
PubChem CID14625874
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccncc2)c2c(CN3CCCCC3)c(O)ccc2n1-c1ccccc1
InChIInChI=1S/C27H28N4O2/c1-19-25(27(33)29-20-12-14-28-15-13-20)26-22(18-30-16-6-3-7-17-30)24(32)11-10-23(26)31(19)21-8-4-2-5-9-21/h2,4-5,8-15,32H,3,6-7,16-18H2,1H3,(H,28,29,33)
InChIKeyFFXWERFSKUHXEK-UHFFFAOYSA-N
XLogP5.28
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide with MolForge

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Related Compounds

Awd 12-281
CID 6918428
S-16020
CID 177330
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CID 5327673
N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,10-trimethylpyrido[4,3-b]carbazole-1-carboxamide
CID 9908441
2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol
CID 44195154
[3-(2-Dimethylamino-ethyl)-5-hydroxy-1H-indol-1-yl]phenylmethanone
CID 9796627
N-[2-(dimethylamino)ethyl]-6-ethyl-9-hydroxy-5-methylpyrido[4,3-b]carbazole-1-carboxamide
CID 10023296
N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
CID 10249816
N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide
CID 10475507
2-(4-Allyl-1-benzyl-2-ethyl-5-hydroxy-1H-indol-3-yl)-acetamide
CID 10760156
1-[(4-Aminobutyl)aminocarbonyl]-5,6-dimethyl-9-hydroxy-6H-pyrido[4,3-b]carbazole
CID 11740258
9-hydroxy-6-(3-(4-methylpiperazin-1-yl)propyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 21980612

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide?
The IUPAC name of 5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide (CID 14625874) is 5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide.
What is the SMILES notation for 5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide?
The canonical SMILES for 5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide is Cc1c(C(=O)Nc2ccncc2)c2c(CN3CCCCC3)c(O)ccc2n1-c1ccccc1.
What is the InChIKey of 5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide?
The InChIKey is FFXWERFSKUHXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-19-25(27(33)29-20-12-14-28-15-13-20)26-22(18-30-16-6-3-7-17-30)24(32)11-10-23(26)31(19)21-8-4-2-5-9-21/h2,4-5,8-15,32H,3,6-7,16-18H2,1H3,(H,28,29,33).
What are the key properties of 5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide?
5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-N-pyridin-4-ylindole-3-carboxamide is sourced from PubChem (CID 14625874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).