N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide

C34H33N5O2 — CID 150568972

IUPACN-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1ccc2[nH]c(O)c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1
InChIInChI=1S/C34H33N5O2/c40-31(22-27-11-5-6-18-35-27)36-28-16-17-30-29(21-28)32(34(41)38-30)33(25-9-3-1-4-10-25)37-26-14-12-24(13-15-26)23-39-19-7-2-8-20-39/h1,3-6,9-18,21,38,41H,2,7-8,19-20,22-23H2,(H,36,40)/b37-33+
InChIKeyDMJHDYQILRRGAI-LAWMERGMSA-N
MW543.67 g/mol
LogP6.60
Rot. Bonds8

About N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide

N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide (PubChem CID 150568972) has the molecular formula C34H33N5O2 and a molecular weight of 543.67 g/mol. Its IUPAC name is N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide
PubChem CID150568972
Molecular FormulaC34H33N5O2
Molecular Weight543.67 g/mol
Exact Mass543.26
IUPAC NameN-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1ccc2[nH]c(O)c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1
InChIInChI=1S/C34H33N5O2/c40-31(22-27-11-5-6-18-35-27)36-28-16-17-30-29(21-28)32(34(41)38-30)33(25-9-3-1-4-10-25)37-26-14-12-24(13-15-26)23-39-19-7-2-8-20-39/h1,3-6,9-18,21,38,41H,2,7-8,19-20,22-23H2,(H,36,40)/b37-33+
InChIKeyDMJHDYQILRRGAI-LAWMERGMSA-N
XLogP6.60
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 56.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]acetamide
CID 175028284
N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]cyclopropanesulfonamide
CID 135530615
5-methyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-2-ol
CID 135622147
2-hydroxy-N-[(1R)-1-phenylethyl]-3-[N-[4-(piperidin-1-ylmethyl)phenyl]-C-pyridin-2-ylcarbonimidoyl]-1H-indole-5-carboxamide
CID 137046582
N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide
CID 135696693
2-hydroxy-N-methyl-N-phenyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-5-sulfonamide
CID 135431013
2-hydroxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-5-carboxamide
CID 137046497
2-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-5-carboxamide
CID 137046389
5,6-diethoxy-3-[C-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]carbonimidoyl]-1H-indol-2-ol
CID 135585765
2-hydroxy-3-[N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylic acid
CID 135492840
3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-6-[2-(propan-2-ylamino)pyrimidin-5-yl]-1H-indol-2-ol
CID 135927202
2-hydroxy-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1H-indole-5-sulfonamide
CID 135898548

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide (CID 150568972) is N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)Nc1ccc2[nH]c(O)c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1.
What is the InChIKey of N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide?
The InChIKey is DMJHDYQILRRGAI-LAWMERGMSA-N. The full InChI is InChI=1S/C34H33N5O2/c40-31(22-27-11-5-6-18-35-27)36-28-16-17-30-29(21-28)32(34(41)38-30)33(25-9-3-1-4-10-25)37-26-14-12-24(13-15-26)23-39-19-7-2-8-20-39/h1,3-6,9-18,21,38,41H,2,7-8,19-20,22-23H2,(H,36,40)/b37-33+.
What are the key properties of N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide?
N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide has a molecular weight of 543.67 g/mol, XLogP of 6.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 150568972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).