3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide

C25H30N6O2 — CID 70691763

IUPAC3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCOc1cncc(-c2cccc(-c3cnc(N)c(C(=O)NC(C)(C)C4CCNCC4)n3)c2)c1
InChIInChI=1S/C25H30N6O2/c1-25(2,19-7-9-27-10-8-19)31-24(32)22-23(26)29-15-21(30-22)17-6-4-5-16(11-17)18-12-20(33-3)14-28-13-18/h4-6,11-15,19,27H,7-10H2,1-3H3,(H2,26,29)(H,31,32)
InChIKeySCSNIYDYHDMGDC-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.30
Rot. Bonds6

About 3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide

3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide (PubChem CID 70691763) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
PubChem CID70691763
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCOc1cncc(-c2cccc(-c3cnc(N)c(C(=O)NC(C)(C)C4CCNCC4)n3)c2)c1
InChIInChI=1S/C25H30N6O2/c1-25(2,19-7-9-27-10-8-19)31-24(32)22-23(26)29-15-21(30-22)17-6-4-5-16(11-17)18-12-20(33-3)14-28-13-18/h4-6,11-15,19,27H,7-10H2,1-3H3,(H2,26,29)(H,31,32)
InChIKeySCSNIYDYHDMGDC-UHFFFAOYSA-N
XLogP3.30
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide (CID 70691763) is 3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide is COc1cncc(-c2cccc(-c3cnc(N)c(C(=O)NC(C)(C)C4CCNCC4)n3)c2)c1.
What is the InChIKey of 3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
The InChIKey is SCSNIYDYHDMGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-25(2,19-7-9-27-10-8-19)31-24(32)22-23(26)29-15-21(30-22)17-6-4-5-16(11-17)18-12-20(33-3)14-28-13-18/h4-6,11-15,19,27H,7-10H2,1-3H3,(H2,26,29)(H,31,32).
What are the key properties of 3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(5-methoxy-3-pyridinyl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 70691763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).