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

C24H28N6O2 — CID 46900233

IUPAC1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C24H28N6O2/c25-23(31)16-3-9-30(10-4-16)24-20-2-7-26-15-18(20)13-21(29-24)17-1-8-27-22(14-17)28-19-5-11-32-12-6-19/h1-2,7-8,13-16,19H,3-6,9-12H2,(H2,25,31)(H,27,28)
InChIKeyKDAMKKZQWJAXRE-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.98
Rot. Bonds5

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

1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide (PubChem CID 46900233) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
PubChem CID46900233
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C24H28N6O2/c25-23(31)16-3-9-30(10-4-16)24-20-2-7-26-15-18(20)13-21(29-24)17-1-8-27-22(14-17)28-19-5-11-32-12-6-19/h1-2,7-8,13-16,19H,3-6,9-12H2,(H2,25,31)(H,27,28)
InChIKeyKDAMKKZQWJAXRE-UHFFFAOYSA-N
XLogP2.98
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide (CID 46900233) is 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The InChIKey is KDAMKKZQWJAXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c25-23(31)16-3-9-30(10-4-16)24-20-2-7-26-15-18(20)13-21(29-24)17-1-8-27-22(14-17)28-19-5-11-32-12-6-19/h1-2,7-8,13-16,19H,3-6,9-12H2,(H2,25,31)(H,27,28).
What are the key properties of 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46900233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).