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

C26H31N7O3 — CID 67026560

IUPACN-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C26H31N7O3/c1-18(34)29-17-25(35)32-8-10-33(11-9-32)26-22-3-6-27-16-20(22)14-23(31-26)19-2-7-28-24(15-19)30-21-4-12-36-13-5-21/h2-3,6-7,14-16,21H,4-5,8-13,17H2,1H3,(H,28,30)(H,29,34)
InChIKeyDEZHDIMNHSLGGV-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.07
Rot. Bonds6

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

N-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 67026560) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID67026560
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC NameN-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C26H31N7O3/c1-18(34)29-17-25(35)32-8-10-33(11-9-32)26-22-3-6-27-16-20(22)14-23(31-26)19-2-7-28-24(15-19)30-21-4-12-36-13-5-21/h2-3,6-7,14-16,21H,4-5,8-13,17H2,1H3,(H,28,30)(H,29,34)
InChIKeyDEZHDIMNHSLGGV-UHFFFAOYSA-N
XLogP2.07
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide (CID 67026560) is N-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of N-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is DEZHDIMNHSLGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-18(34)29-17-25(35)32-8-10-33(11-9-32)26-22-3-6-27-16-20(22)14-23(31-26)19-2-7-28-24(15-19)30-21-4-12-36-13-5-21/h2-3,6-7,14-16,21H,4-5,8-13,17H2,1H3,(H,28,30)(H,29,34).
What are the key properties of N-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide?
N-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 489.58 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 67026560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).