N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide

C28H30N8O — CID 138590183

IUPACN-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide
SMILESCN1CC=C(c2cc(C(=O)Nc3cc4cc(-c5cncc(NC(C)(C)C)n5)cnc4cn3)ccn2)CC1
InChIInChI=1S/C28H30N8O/c1-28(2,3)35-26-17-29-15-24(33-26)21-11-20-13-25(32-16-23(20)31-14-21)34-27(37)19-5-8-30-22(12-19)18-6-9-36(4)10-7-18/h5-6,8,11-17H,7,9-10H2,1-4H3,(H,33,35)(H,32,34,37)
InChIKeyQHYCJGVYIARSRR-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.66
Rot. Bonds5

About N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide

N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide (PubChem CID 138590183) has the molecular formula C28H30N8O and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide
PubChem CID138590183
Molecular FormulaC28H30N8O
Molecular Weight494.60 g/mol
Exact Mass494.25
IUPAC NameN-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide
SMILESCN1CC=C(c2cc(C(=O)Nc3cc4cc(-c5cncc(NC(C)(C)C)n5)cnc4cn3)ccn2)CC1
InChIInChI=1S/C28H30N8O/c1-28(2,3)35-26-17-29-15-24(33-26)21-11-20-13-25(32-16-23(20)31-14-21)34-27(37)19-5-8-30-22(12-19)18-6-9-36(4)10-7-18/h5-6,8,11-17H,7,9-10H2,1-4H3,(H,33,35)(H,32,34,37)
InChIKeyQHYCJGVYIARSRR-UHFFFAOYSA-N
XLogP4.66
TPSA108.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide (CID 138590183) is N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide is CN1CC=C(c2cc(C(=O)Nc3cc4cc(-c5cncc(NC(C)(C)C)n5)cnc4cn3)ccn2)CC1.
What is the InChIKey of N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide?
The InChIKey is QHYCJGVYIARSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O/c1-28(2,3)35-26-17-29-15-24(33-26)21-11-20-13-25(32-16-23(20)31-14-21)34-27(37)19-5-8-30-22(12-19)18-6-9-36(4)10-7-18/h5-6,8,11-17H,7,9-10H2,1-4H3,(H,33,35)(H,32,34,37).
What are the key properties of N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide?
N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 138590183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).