4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid

C20H22N8O2 — CID 66836546

IUPAC4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESNCc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1
InChIInChI=1S/C20H22N8O2/c21-12-14-9-16(25-17(10-14)26-18-13-22-3-4-23-18)15-1-2-24-19(11-15)27-5-7-28(8-6-27)20(29)30/h1-4,9-11,13H,5-8,12,21H2,(H,29,30)(H,23,25,26)
InChIKeyKRGQGEGEVSNDBQ-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.94
Rot. Bonds5

About 4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid

4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 66836546) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID66836546
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESNCc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1
InChIInChI=1S/C20H22N8O2/c21-12-14-9-16(25-17(10-14)26-18-13-22-3-4-23-18)15-1-2-24-19(11-15)27-5-7-28(8-6-27)20(29)30/h1-4,9-11,13H,5-8,12,21H2,(H,29,30)(H,23,25,26)
InChIKeyKRGQGEGEVSNDBQ-UHFFFAOYSA-N
XLogP1.94
TPSA133.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

Wnt-974
CID 46926973
Las-101057
CID 16071896
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
Gnf6231
CID 46927297
(2E)-3-{3-[6-(piperazin-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid
CID 24811902
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075
US10251893, Cpd 128
CID 46927133
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217
2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
US10251893, Cpd 166
CID 58447954
1-Ethyl-3-[1-(Pyridin-2-Yl)-6-(Pyridin-3-Yl)-1h-Pyrrolo[3,2-B]pyridin-3-Yl]urea
CID 92045130

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid (CID 66836546) is 4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid is NCc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1.
What is the InChIKey of 4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is KRGQGEGEVSNDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c21-12-14-9-16(25-17(10-14)26-18-13-22-3-4-23-18)15-1-2-24-19(11-15)27-5-7-28(8-6-27)20(29)30/h1-4,9-11,13H,5-8,12,21H2,(H,29,30)(H,23,25,26).
What are the key properties of 4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid?
4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 406.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 66836546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).