N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide

C23H27N7O2 — CID 138587557

IUPACN-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ncc2cn1)C1CCOCC1
InChIInChI=1S/C23H27N7O2/c31-23(15-3-7-32-8-4-15)30-21-10-16-9-19(26-11-17(16)12-27-21)20-13-25-14-22(29-20)28-18-1-5-24-6-2-18/h9-15,18,24H,1-8H2,(H,28,29)(H,27,30,31)
InChIKeyXYQQVXVUFVYLAU-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.62
Rot. Bonds5

About N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide

N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide (PubChem CID 138587557) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide
PubChem CID138587557
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ncc2cn1)C1CCOCC1
InChIInChI=1S/C23H27N7O2/c31-23(15-3-7-32-8-4-15)30-21-10-16-9-19(26-11-17(16)12-27-21)20-13-25-14-22(29-20)28-18-1-5-24-6-2-18/h9-15,18,24H,1-8H2,(H,28,29)(H,27,30,31)
InChIKeyXYQQVXVUFVYLAU-UHFFFAOYSA-N
XLogP2.62
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide (CID 138587557) is N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide is O=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ncc2cn1)C1CCOCC1.
What is the InChIKey of N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide?
The InChIKey is XYQQVXVUFVYLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c31-23(15-3-7-32-8-4-15)30-21-10-16-9-19(26-11-17(16)12-27-21)20-13-25-14-22(29-20)28-18-1-5-24-6-2-18/h9-15,18,24H,1-8H2,(H,28,29)(H,27,30,31).
What are the key properties of N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide?
N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 138587557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).