3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid

C20H21N5O3 — CID 91559493

IUPAC3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C20H21N5O3/c1-2-6-14(11-18(26)27)22-20(28)25-17-10-9-15-19(24-17)23-16(12-21-15)13-7-4-3-5-8-13/h3-5,7-10,12,14H,2,6,11H2,1H3,(H,26,27)(H2,22,23,24,25,28)
InChIKeyJPNBLCCYRISCFC-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.46
Rot. Bonds7

About 3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid

3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid (PubChem CID 91559493) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid
PubChem CID91559493
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C20H21N5O3/c1-2-6-14(11-18(26)27)22-20(28)25-17-10-9-15-19(24-17)23-16(12-21-15)13-7-4-3-5-8-13/h3-5,7-10,12,14H,2,6,11H2,1H3,(H,26,27)(H2,22,23,24,25,28)
InChIKeyJPNBLCCYRISCFC-UHFFFAOYSA-N
XLogP3.46
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730273
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
CID 58881889
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528
N-methyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide
CID 58881960
1-[3-[3-(methoxymethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
CID 70854667
4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butylphosphonic acid
CID 16727365
1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66558871
1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66558186
1-ethyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70814986
1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 58881850
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610
(2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid
CID 70854683

Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid?
The IUPAC name of 3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid (CID 91559493) is 3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid?
The canonical SMILES for 3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid is CCCC(CC(=O)O)NC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.
What is the InChIKey of 3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid?
The InChIKey is JPNBLCCYRISCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-2-6-14(11-18(26)27)22-20(28)25-17-10-9-15-19(24-17)23-16(12-21-15)13-7-4-3-5-8-13/h3-5,7-10,12,14H,2,6,11H2,1H3,(H,26,27)(H2,22,23,24,25,28).
What are the key properties of 3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid?
3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid has a molecular weight of 379.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 91559493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).