[4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate

C20H20ClN5O2 — CID 12986294

IUPAC[4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cnccc1-c1cncc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C20H20ClN5O2/c1-3-26(4-2)20(27)28-18-12-22-9-8-16(18)17-11-23-13-19(25-17)24-15-7-5-6-14(21)10-15/h5-13H,3-4H2,1-2H3,(H,24,25)
InChIKeyNXPPVOSPEPIDRP-UHFFFAOYSA-N
MW397.87 g/mol
LogP4.78
Rot. Bonds6

About [4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate

[4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate (PubChem CID 12986294) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is [4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate
PubChem CID12986294
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name[4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cnccc1-c1cncc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C20H20ClN5O2/c1-3-26(4-2)20(27)28-18-12-22-9-8-16(18)17-11-23-13-19(25-17)24-15-7-5-6-14(21)10-15/h5-13H,3-4H2,1-2H3,(H,24,25)
InChIKeyNXPPVOSPEPIDRP-UHFFFAOYSA-N
XLogP4.78
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-6-(5-ethyl-3-pyridinyl)pyrazin-2-amine
CID 58774159
N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
CID 5330369
N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dipropylpropane-1,3-diamine
CID 142130337
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
[4-[6-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]-3-pyridinyl] trifluoromethanesulfonate
CID 21300379
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide
CID 142130325
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464
1-(5-chloro-3-pyridinyl)-3-(3-methoxyphenyl)urea
CID 35290961
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
CID 87654657

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate?
The IUPAC name of [4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate (CID 12986294) is [4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate.
What is the SMILES notation for [4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate?
The canonical SMILES for [4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cnccc1-c1cncc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of [4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate?
The InChIKey is NXPPVOSPEPIDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-3-26(4-2)20(27)28-18-12-22-9-8-16(18)17-11-23-13-19(25-17)24-15-7-5-6-14(21)10-15/h5-13H,3-4H2,1-2H3,(H,24,25).
What are the key properties of [4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate?
[4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate has a molecular weight of 397.87 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate is sourced from PubChem (CID 12986294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).