N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide

C26H26N6O2 — CID 11270979

IUPACN-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide
SMILESCCCC(Nc1cncc(-c2ccc(NC(=O)c3cccnc3)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C26H26N6O2/c1-3-6-21(19-7-4-11-27-14-19)30-25-17-29-16-23(31-25)18-9-10-22(24(13-18)34-2)32-26(33)20-8-5-12-28-15-20/h4-5,7-17,21H,3,6H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyXOYSECQSCQHOPR-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.15
Rot. Bonds9

About N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide

N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 11270979) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID11270979
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide
SMILESCCCC(Nc1cncc(-c2ccc(NC(=O)c3cccnc3)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C26H26N6O2/c1-3-6-21(19-7-4-11-27-14-19)30-25-17-29-16-23(31-25)18-9-10-22(24(13-18)34-2)32-26(33)20-8-5-12-28-15-20/h4-5,7-17,21H,3,6H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyXOYSECQSCQHOPR-UHFFFAOYSA-N
XLogP5.15
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide (CID 11270979) is N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide is CCCC(Nc1cncc(-c2ccc(NC(=O)c3cccnc3)c(OC)c2)n1)c1cccnc1.
What is the InChIKey of N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is XOYSECQSCQHOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-3-6-21(19-7-4-11-27-14-19)30-25-17-29-16-23(31-25)18-9-10-22(24(13-18)34-2)32-26(33)20-8-5-12-28-15-20/h4-5,7-17,21H,3,6H2,1-2H3,(H,30,31)(H,32,33).
What are the key properties of N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide?
N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11270979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).