N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide

C31H35N5O3 — CID 4985140

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(c3nc(C)ccc3C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C31H35N5O3/c1-21-7-12-27(30(37)32-16-13-24-20-33-28-6-4-3-5-26(24)28)29(35-21)23-14-17-36(18-15-23)31(38)34-19-22-8-10-25(39-2)11-9-22/h3-12,20,23,33H,13-19H2,1-2H3,(H,32,37)(H,34,38)
InChIKeyJEPFFKICPOWTGV-UHFFFAOYSA-N
MW525.65 g/mol
LogP4.94
Rot. Bonds8

About N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide (PubChem CID 4985140) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
PubChem CID4985140
Molecular FormulaC31H35N5O3
Molecular Weight525.65 g/mol
Exact Mass525.27
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(c3nc(C)ccc3C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C31H35N5O3/c1-21-7-12-27(30(37)32-16-13-24-20-33-28-6-4-3-5-26(24)28)29(35-21)23-14-17-36(18-15-23)31(38)34-19-22-8-10-25(39-2)11-9-22/h3-12,20,23,33H,13-19H2,1-2H3,(H,32,37)(H,34,38)
InChIKeyJEPFFKICPOWTGV-UHFFFAOYSA-N
XLogP4.94
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.65
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-fluorophenyl)methylcarbamothioyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 3857081
2-(1-benzylsulfonylpiperidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 4236861
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3482389
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-[2-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 4985093
2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069124
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989627
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868042
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42867402
N-[(4-fluorophenyl)methyl]-2-[1-(3-methoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852023
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46069019
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide (CID 4985140) is N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide is COc1ccc(CNC(=O)N2CCC(c3nc(C)ccc3C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is JEPFFKICPOWTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-21-7-12-27(30(37)32-16-13-24-20-33-28-6-4-3-5-26(24)28)29(35-21)23-14-17-36(18-15-23)31(38)34-19-22-8-10-25(39-2)11-9-22/h3-12,20,23,33H,13-19H2,1-2H3,(H,32,37)(H,34,38).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 525.65 g/mol, XLogP of 4.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 4985140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).