1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea

C18H19N5O — CID 16730273

IUPAC1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
SMILESCCN(CC)C(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C18H19N5O/c1-3-23(4-2)18(24)22-16-11-10-14-17(21-16)20-15(12-19-14)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,20,21,22,24)
InChIKeyKTFQTDQQMLQGPI-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.57
Rot. Bonds4

About 1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea

1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea (PubChem CID 16730273) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
PubChem CID16730273
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
SMILESCCN(CC)C(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C18H19N5O/c1-3-23(4-2)18(24)22-16-11-10-14-17(21-16)20-15(12-19-14)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,20,21,22,24)
InChIKeyKTFQTDQQMLQGPI-UHFFFAOYSA-N
XLogP3.57
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide
CID 58881960
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
CID 58881889
3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid
CID 91559493
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528
1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea
CID 110634646
methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate
CID 118040893
1-(2-methylprop-2-enyl)-3-(3-naphthalen-2-ylpyrido[2,3-b]pyrazin-6-yl)-1-sulfanylurea
CID 87721020
4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butylphosphonic acid
CID 16727365
(2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid
CID 70854683
[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate
CID 16727156
1-ethyl-3-[3-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88992754
1-ethyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70814986

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The IUPAC name of 1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea (CID 16730273) is 1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea is CCN(CC)C(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.
What is the InChIKey of 1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The InChIKey is KTFQTDQQMLQGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-3-23(4-2)18(24)22-16-11-10-14-17(21-16)20-15(12-19-14)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,20,21,22,24).
What are the key properties of 1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea has a molecular weight of 321.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea is sourced from PubChem (CID 16730273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).