3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine

C22H25N7 — CID 139333387

IUPAC3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine
SMILESC=C(Nc1cnccc1N1CCC(N)CC1)c1nc(-c2ccccc2)cnc1N
InChIInChI=1S/C22H25N7/c1-15(21-22(24)26-14-18(28-21)16-5-3-2-4-6-16)27-19-13-25-10-7-20(19)29-11-8-17(23)9-12-29/h2-7,10,13-14,17,27H,1,8-9,11-12,23H2,(H2,24,26)
InChIKeyITWLSEDDUFDBAC-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.13
Rot. Bonds5

About 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine

3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine (PubChem CID 139333387) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine.

Molecular Properties

Compound Name3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine
PubChem CID139333387
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine
SMILESC=C(Nc1cnccc1N1CCC(N)CC1)c1nc(-c2ccccc2)cnc1N
InChIInChI=1S/C22H25N7/c1-15(21-22(24)26-14-18(28-21)16-5-3-2-4-6-16)27-19-13-25-10-7-20(19)29-11-8-17(23)9-12-29/h2-7,10,13-14,17,27H,1,8-9,11-12,23H2,(H2,24,26)
InChIKeyITWLSEDDUFDBAC-UHFFFAOYSA-N
XLogP3.13
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine?
The IUPAC name of 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine (CID 139333387) is 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine.
What is the SMILES notation for 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine?
The canonical SMILES for 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine is C=C(Nc1cnccc1N1CCC(N)CC1)c1nc(-c2ccccc2)cnc1N.
What is the InChIKey of 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine?
The InChIKey is ITWLSEDDUFDBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-15(21-22(24)26-14-18(28-21)16-5-3-2-4-6-16)27-19-13-25-10-7-20(19)29-11-8-17(23)9-12-29/h2-7,10,13-14,17,27H,1,8-9,11-12,23H2,(H2,24,26).
What are the key properties of 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine?
3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine has a molecular weight of 387.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine is sourced from PubChem (CID 139333387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).