4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide

C26H31N7O3 — CID 91532275

IUPAC4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C26H31N7O3/c27-23(34)1-2-25(35)32-9-11-33(12-10-32)26-21-4-7-28-17-19(21)15-22(31-26)18-3-8-29-24(16-18)30-20-5-13-36-14-6-20/h3-4,7-8,15-17,20H,1-2,5-6,9-14H2,(H2,27,34)(H,29,30)
InChIKeyUFSDGNLVVRRRRL-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.20
Rot. Bonds7

About 4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide

4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide (PubChem CID 91532275) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide
PubChem CID91532275
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Name4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C26H31N7O3/c27-23(34)1-2-25(35)32-9-11-33(12-10-32)26-21-4-7-28-17-19(21)15-22(31-26)18-3-8-29-24(16-18)30-20-5-13-36-14-6-20/h3-4,7-8,15-17,20H,1-2,5-6,9-14H2,(H2,27,34)(H,29,30)
InChIKeyUFSDGNLVVRRRRL-UHFFFAOYSA-N
XLogP2.20
TPSA126.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of 4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide (CID 91532275) is 4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for 4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide is NC(=O)CCC(=O)N1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of 4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide?
The InChIKey is UFSDGNLVVRRRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c27-23(34)1-2-25(35)32-9-11-33(12-10-32)26-21-4-7-28-17-19(21)15-22(31-26)18-3-8-29-24(16-18)30-20-5-13-36-14-6-20/h3-4,7-8,15-17,20H,1-2,5-6,9-14H2,(H2,27,34)(H,29,30).
What are the key properties of 4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide?
4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide has a molecular weight of 489.58 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 91532275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).