[4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate

C27H30N6O3 — CID 67017602

IUPAC[4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate
SMILESCN1CCN(c2cccc(NC(=O)Oc3c(NCCc4c[nH]c5ccccc45)cc[nH]c3=O)c2)CC1
InChIInChI=1S/C27H30N6O3/c1-32-13-15-33(16-14-32)21-6-4-5-20(17-21)31-27(35)36-25-24(10-12-29-26(25)34)28-11-9-19-18-30-23-8-3-2-7-22(19)23/h2-8,10,12,17-18,30H,9,11,13-16H2,1H3,(H,31,35)(H2,28,29,34)
InChIKeySNWAOCCICDERJD-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.87
Rot. Bonds7

About [4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate

[4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate (PubChem CID 67017602) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is [4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate.

Molecular Properties

Compound Name[4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate
PubChem CID67017602
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name[4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate
SMILESCN1CCN(c2cccc(NC(=O)Oc3c(NCCc4c[nH]c5ccccc45)cc[nH]c3=O)c2)CC1
InChIInChI=1S/C27H30N6O3/c1-32-13-15-33(16-14-32)21-6-4-5-20(17-21)31-27(35)36-25-24(10-12-29-26(25)34)28-11-9-19-18-30-23-8-3-2-7-22(19)23/h2-8,10,12,17-18,30H,9,11,13-16H2,1H3,(H,31,35)(H2,28,29,34)
InChIKeySNWAOCCICDERJD-UHFFFAOYSA-N
XLogP3.87
TPSA105.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 67017639
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 46855458
N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide
CID 22115646
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide
CID 21187563
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531709
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870723
N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116156
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989627
2-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002111
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44892225

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate?
The IUPAC name of [4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate (CID 67017602) is [4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate.
What is the SMILES notation for [4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate?
The canonical SMILES for [4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate is CN1CCN(c2cccc(NC(=O)Oc3c(NCCc4c[nH]c5ccccc45)cc[nH]c3=O)c2)CC1.
What is the InChIKey of [4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate?
The InChIKey is SNWAOCCICDERJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-32-13-15-33(16-14-32)21-6-4-5-20(17-21)31-27(35)36-25-24(10-12-29-26(25)34)28-11-9-19-18-30-23-8-3-2-7-22(19)23/h2-8,10,12,17-18,30H,9,11,13-16H2,1H3,(H,31,35)(H2,28,29,34).
What are the key properties of [4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate?
[4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate has a molecular weight of 486.58 g/mol, XLogP of 3.87, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-pyridin-3-yl] N-[3-(4-methylpiperazin-1-yl)phenyl]carbamate is sourced from PubChem (CID 67017602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).