3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine

C21H20N6O — CID 67388374

IUPAC3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc(N3CCNCC3)nc2)cc1-c1nc2ccccc2o1
InChIInChI=1S/C21H20N6O/c22-20-16(21-26-17-3-1-2-4-18(17)28-21)11-15(13-25-20)14-5-6-19(24-12-14)27-9-7-23-8-10-27/h1-6,11-13,23H,7-10H2,(H2,22,25)
InChIKeyBQMSEAJEDQJXDE-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.94
Rot. Bonds3

About 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine

3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine (PubChem CID 67388374) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
PubChem CID67388374
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc(N3CCNCC3)nc2)cc1-c1nc2ccccc2o1
InChIInChI=1S/C21H20N6O/c22-20-16(21-26-17-3-1-2-4-18(17)28-21)11-15(13-25-20)14-5-6-19(24-12-14)27-9-7-23-8-10-27/h1-6,11-13,23H,7-10H2,(H2,22,25)
InChIKeyBQMSEAJEDQJXDE-UHFFFAOYSA-N
XLogP2.94
TPSA93.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine
CID 67388608
3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 67388241
3-(1,3-benzoxazol-2-yl)-5-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]pyridin-2-amine
CID 67388137
5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 141215033
3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine
CID 67389274
[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 44555312
3-(1,3-benzoxazol-2-yl)-5-[1-(1-methyl-1-oxidopiperidin-1-ium-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 86630146
3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane
CID 143796257
4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide
CID 174629042
4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 67388113
3-(1,3-benzoxazol-2-yl)-5-[1-(4-iminobutan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 174641874
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine (CID 67388374) is 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine is Nc1ncc(-c2ccc(N3CCNCC3)nc2)cc1-c1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine?
The InChIKey is BQMSEAJEDQJXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c22-20-16(21-26-17-3-1-2-4-18(17)28-21)11-15(13-25-20)14-5-6-19(24-12-14)27-9-7-23-8-10-27/h1-6,11-13,23H,7-10H2,(H2,22,25).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine?
3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine has a molecular weight of 372.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 67388374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).