1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine

C21H29N5O — CID 118264055

IUPAC1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1cnc(N2CCC(NC3CCOCC3)CC2)c(-c2cnc(C)cn2)c1
InChIInChI=1S/C21H29N5O/c1-15-11-19(20-14-22-16(2)13-23-20)21(24-12-15)26-7-3-17(4-8-26)25-18-5-9-27-10-6-18/h11-14,17-18,25H,3-10H2,1-2H3
InChIKeyMPUDPJOQEVNQBZ-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.89
Rot. Bonds4

About 1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine

1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 118264055) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine
PubChem CID118264055
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1cnc(N2CCC(NC3CCOCC3)CC2)c(-c2cnc(C)cn2)c1
InChIInChI=1S/C21H29N5O/c1-15-11-19(20-14-22-16(2)13-23-20)21(24-12-15)26-7-3-17(4-8-26)25-18-5-9-27-10-6-18/h11-14,17-18,25H,3-10H2,1-2H3
InChIKeyMPUDPJOQEVNQBZ-UHFFFAOYSA-N
XLogP2.89
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine (CID 118264055) is 1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine is Cc1cnc(N2CCC(NC3CCOCC3)CC2)c(-c2cnc(C)cn2)c1.
What is the InChIKey of 1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is MPUDPJOQEVNQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-15-11-19(20-14-22-16(2)13-23-20)21(24-12-15)26-7-3-17(4-8-26)25-18-5-9-27-10-6-18/h11-14,17-18,25H,3-10H2,1-2H3.
What are the key properties of 1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine?
1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 367.50 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 118264055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).