(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone

C22H23N5O2 — CID 24996302

IUPAC(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCOc1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1
InChIInChI=1S/C22H23N5O2/c1-29-16-6-2-5-15(13-16)19-14-27(12-11-24-19)20-9-3-8-18(26-20)21(28)17-7-4-10-25-22(17)23/h2-10,13,19,24H,11-12,14H2,1H3,(H2,23,25)
InChIKeyNWXWJZGAOIWGHK-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.45
Rot. Bonds5

About (2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone (PubChem CID 24996302) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
PubChem CID24996302
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCOc1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1
InChIInChI=1S/C22H23N5O2/c1-29-16-6-2-5-15(13-16)19-14-27(12-11-24-19)20-9-3-8-18(26-20)21(28)17-7-4-10-25-22(17)23/h2-10,13,19,24H,11-12,14H2,1H3,(H2,23,25)
InChIKeyNWXWJZGAOIWGHK-UHFFFAOYSA-N
XLogP2.45
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone (CID 24996302) is (2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone is COc1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone?
The InChIKey is NWXWJZGAOIWGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-16-6-2-5-15(13-16)19-14-27(12-11-24-19)20-9-3-8-18(26-20)21(28)17-7-4-10-25-22(17)23/h2-10,13,19,24H,11-12,14H2,1H3,(H2,23,25).
What are the key properties of (2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone has a molecular weight of 389.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 24996302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).