7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide

C25H26N6O2 — CID 90005591

IUPAC7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1-c1cn[nH]c1)c1ccc2cnc(NC3CCOCC3)cc2n1
InChIInChI=1S/C25H26N6O2/c32-25(26-10-7-17-3-1-2-4-21(17)19-15-28-29-16-19)22-6-5-18-14-27-24(13-23(18)31-22)30-20-8-11-33-12-9-20/h1-6,13-16,20H,7-12H2,(H,26,32)(H,27,30)(H,28,29)
InChIKeyDBFPAEKSGGBQTR-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.58
Rot. Bonds7

About 7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide

7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 90005591) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide
PubChem CID90005591
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1-c1cn[nH]c1)c1ccc2cnc(NC3CCOCC3)cc2n1
InChIInChI=1S/C25H26N6O2/c32-25(26-10-7-17-3-1-2-4-21(17)19-15-28-29-16-19)22-6-5-18-14-27-24(13-23(18)31-22)30-20-8-11-33-12-9-20/h1-6,13-16,20H,7-12H2,(H,26,32)(H,27,30)(H,28,29)
InChIKeyDBFPAEKSGGBQTR-UHFFFAOYSA-N
XLogP3.58
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide (CID 90005591) is 7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide is O=C(NCCc1ccccc1-c1cn[nH]c1)c1ccc2cnc(NC3CCOCC3)cc2n1.
What is the InChIKey of 7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is DBFPAEKSGGBQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c32-25(26-10-7-17-3-1-2-4-21(17)19-15-28-29-16-19)22-6-5-18-14-27-24(13-23(18)31-22)30-20-8-11-33-12-9-20/h1-6,13-16,20H,7-12H2,(H,26,32)(H,27,30)(H,28,29).
What are the key properties of 7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide?
7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 90005591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).