[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate

C19H20N6O3 — CID 16727156

IUPAC[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)N(C)C)cc3)nc2n1
InChIInChI=1S/C19H20N6O3/c1-4-20-18(26)24-16-10-9-14-17(23-16)22-15(11-21-14)12-5-7-13(8-6-12)28-19(27)25(2)3/h5-11H,4H2,1-3H3,(H2,20,22,23,24,26)
InChIKeyKRSKUWBIALPHJN-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.89
Rot. Bonds4

About [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate

[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate (PubChem CID 16727156) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate
PubChem CID16727156
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)N(C)C)cc3)nc2n1
InChIInChI=1S/C19H20N6O3/c1-4-20-18(26)24-16-10-9-14-17(23-16)22-15(11-21-14)12-5-7-13(8-6-12)28-19(27)25(2)3/h5-11H,4H2,1-3H3,(H2,20,22,23,24,26)
InChIKeyKRSKUWBIALPHJN-UHFFFAOYSA-N
XLogP2.89
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate (CID 16727156) is [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate is CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)N(C)C)cc3)nc2n1.
What is the InChIKey of [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate?
The InChIKey is KRSKUWBIALPHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-4-20-18(26)24-16-10-9-14-17(23-16)22-15(11-21-14)12-5-7-13(8-6-12)28-19(27)25(2)3/h5-11H,4H2,1-3H3,(H2,20,22,23,24,26).
What are the key properties of [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate?
[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate has a molecular weight of 380.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 16727156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).