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

C20H27N5O4 — CID 67017637

IUPAC[4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
SMILESCCNc1cc[nH]c(=O)c1OC(=O)Nc1ccc(OC)c(N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N5O4/c1-4-21-15-7-8-22-19(26)18(15)29-20(27)23-14-5-6-17(28-3)16(13-14)25-11-9-24(2)10-12-25/h5-8,13H,4,9-12H2,1-3H3,(H,23,27)(H2,21,22,26)
InChIKeyKKNAKHJOLCLDQJ-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.18
Rot. Bonds6

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

[4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate (PubChem CID 67017637) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate.

Molecular Properties

Compound Name[4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
PubChem CID67017637
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name[4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
SMILESCCNc1cc[nH]c(=O)c1OC(=O)Nc1ccc(OC)c(N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N5O4/c1-4-21-15-7-8-22-19(26)18(15)29-20(27)23-14-5-6-17(28-3)16(13-14)25-11-9-24(2)10-12-25/h5-8,13H,4,9-12H2,1-3H3,(H,23,27)(H2,21,22,26)
InChIKeyKKNAKHJOLCLDQJ-UHFFFAOYSA-N
XLogP2.18
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate?
The IUPAC name of [4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate (CID 67017637) is [4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate.
What is the SMILES notation for [4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate?
The canonical SMILES for [4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate is CCNc1cc[nH]c(=O)c1OC(=O)Nc1ccc(OC)c(N2CCN(C)CC2)c1.
What is the InChIKey of [4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate?
The InChIKey is KKNAKHJOLCLDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-4-21-15-7-8-22-19(26)18(15)29-20(27)23-14-5-6-17(28-3)16(13-14)25-11-9-24(2)10-12-25/h5-8,13H,4,9-12H2,1-3H3,(H,23,27)(H2,21,22,26).
What are the key properties of [4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate?
[4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate has a molecular weight of 401.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate is sourced from PubChem (CID 67017637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).