4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid

C21H21N5O3 — CID 67425066

IUPAC4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C21H21N5O3/c27-21(28)26-13-8-15(9-14-26)19-20(24-12-11-23-19)29-17-6-4-16(5-7-17)25-18-3-1-2-10-22-18/h1-7,10-12,15H,8-9,13-14H2,(H,22,25)(H,27,28)
InChIKeyCXLXLDLXBSQLBI-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.26
Rot. Bonds5

About 4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid

4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid (PubChem CID 67425066) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
PubChem CID67425066
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C21H21N5O3/c27-21(28)26-13-8-15(9-14-26)19-20(24-12-11-23-19)29-17-6-4-16(5-7-17)25-18-3-1-2-10-22-18/h1-7,10-12,15H,8-9,13-14H2,(H,22,25)(H,27,28)
InChIKeyCXLXLDLXBSQLBI-UHFFFAOYSA-N
XLogP4.26
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-1-carboxylate
CID 59374012
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59373992
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821995
1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol
CID 46831505
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
CID 59374146
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59373973
N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59373977
[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol
CID 59374018
N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
CID 67426031
2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95823275

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid (CID 67425066) is 4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1.
What is the InChIKey of 4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid?
The InChIKey is CXLXLDLXBSQLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-21(28)26-13-8-15(9-14-26)19-20(24-12-11-23-19)29-17-6-4-16(5-7-17)25-18-3-1-2-10-22-18/h1-7,10-12,15H,8-9,13-14H2,(H,22,25)(H,27,28).
What are the key properties of 4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid?
4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid has a molecular weight of 391.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67425066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).