[4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate

C27H33N5O4 — CID 67017684

IUPAC[4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
SMILESCOc1ccc(NC(=O)Oc2c(N(C)CCc3ccccc3)cc[nH]c2=O)cc1N1CCN(C)CC1
InChIInChI=1S/C27H33N5O4/c1-30-15-17-32(18-16-30)23-19-21(9-10-24(23)35-3)29-27(34)36-25-22(11-13-28-26(25)33)31(2)14-12-20-7-5-4-6-8-20/h4-11,13,19H,12,14-18H2,1-3H3,(H,28,33)(H,29,34)
InChIKeyQAQAEGIHUQJZQF-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.43
Rot. Bonds8

About [4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate

[4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate (PubChem CID 67017684) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is [4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate.

Molecular Properties

Compound Name[4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
PubChem CID67017684
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name[4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
SMILESCOc1ccc(NC(=O)Oc2c(N(C)CCc3ccccc3)cc[nH]c2=O)cc1N1CCN(C)CC1
InChIInChI=1S/C27H33N5O4/c1-30-15-17-32(18-16-30)23-19-21(9-10-24(23)35-3)29-27(34)36-25-22(11-13-28-26(25)33)31(2)14-12-20-7-5-4-6-8-20/h4-11,13,19H,12,14-18H2,1-3H3,(H,28,33)(H,29,34)
InChIKeyQAQAEGIHUQJZQF-UHFFFAOYSA-N
XLogP3.43
TPSA90.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 67017637
[2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 67017639
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide
CID 25191137
1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 22118884
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridine-3-carboxamide
CID 25191516
1-(3-chloro-4-methylphenyl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 15541334
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide
CID 140993279
5-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide;5-bromothiophene-2-carboxylic acid
CID 67753976
3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide
CID 59828948
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 22459288
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[7-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenoxy]heptoxy]benzamide;oxalic acid
CID 44533107

Frequently Asked Questions

What is the IUPAC name of [4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate?
The IUPAC name of [4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate (CID 67017684) is [4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate.
What is the SMILES notation for [4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate?
The canonical SMILES for [4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate is COc1ccc(NC(=O)Oc2c(N(C)CCc3ccccc3)cc[nH]c2=O)cc1N1CCN(C)CC1.
What is the InChIKey of [4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate?
The InChIKey is QAQAEGIHUQJZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-30-15-17-32(18-16-30)23-19-21(9-10-24(23)35-3)29-27(34)36-25-22(11-13-28-26(25)33)31(2)14-12-20-7-5-4-6-8-20/h4-11,13,19H,12,14-18H2,1-3H3,(H,28,33)(H,29,34).
What are the key properties of [4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate?
[4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate has a molecular weight of 491.59 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate is sourced from PubChem (CID 67017684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).