2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid

C21H19N5O2 — CID 10317223

IUPAC2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid
SMILESN#Cc1cccc(-c2nc(N3CCN(CC(=O)O)CC3)cc3cccnc23)c1
InChIInChI=1S/C21H19N5O2/c22-13-15-3-1-4-16(11-15)21-20-17(5-2-6-23-20)12-18(24-21)26-9-7-25(8-10-26)14-19(27)28/h1-6,11-12H,7-10,14H2,(H,27,28)
InChIKeySAPZVOANOIPKSM-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.38
Rot. Bonds4

About 2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid

2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid (PubChem CID 10317223) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid
PubChem CID10317223
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid
SMILESN#Cc1cccc(-c2nc(N3CCN(CC(=O)O)CC3)cc3cccnc23)c1
InChIInChI=1S/C21H19N5O2/c22-13-15-3-1-4-16(11-15)21-20-17(5-2-6-23-20)12-18(24-21)26-9-7-25(8-10-26)14-19(27)28/h1-6,11-12H,7-10,14H2,(H,27,28)
InChIKeySAPZVOANOIPKSM-UHFFFAOYSA-N
XLogP2.38
TPSA93.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
CID 10089791
3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
CID 10341658
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 64590131
[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate
CID 91536421
3-quinolin-8-ylbenzonitrile
CID 4189045
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768554
2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166224
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768591
8-amino-6-(3-cyanophenyl)-3-ethyl-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 137372679
2-[4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]piperidin-1-yl]acetic acid
CID 67403874

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid (CID 10317223) is 2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid is N#Cc1cccc(-c2nc(N3CCN(CC(=O)O)CC3)cc3cccnc23)c1.
What is the InChIKey of 2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid?
The InChIKey is SAPZVOANOIPKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c22-13-15-3-1-4-16(11-15)21-20-17(5-2-6-23-20)12-18(24-21)26-9-7-25(8-10-26)14-19(27)28/h1-6,11-12H,7-10,14H2,(H,27,28).
What are the key properties of 2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid?
2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid has a molecular weight of 373.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 10317223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).