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

C26H32N6O3 — CID 46901053

IUPACN-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C26H32N6O3/c33-12-9-29-26(34)18-3-10-32(11-4-18)25-22-2-7-27-17-20(22)15-23(31-25)19-1-8-28-24(16-19)30-21-5-13-35-14-6-21/h1-2,7-8,15-18,21,33H,3-6,9-14H2,(H,28,30)(H,29,34)
InChIKeyFALCGXVDMFJLNA-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.61
Rot. Bonds7

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

N-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide (PubChem CID 46901053) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
PubChem CID46901053
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC NameN-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C26H32N6O3/c33-12-9-29-26(34)18-3-10-32(11-4-18)25-22-2-7-27-17-20(22)15-23(31-25)19-1-8-28-24(16-19)30-21-5-13-35-14-6-21/h1-2,7-8,15-18,21,33H,3-6,9-14H2,(H,28,30)(H,29,34)
InChIKeyFALCGXVDMFJLNA-UHFFFAOYSA-N
XLogP2.61
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide (CID 46901053) is N-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide is O=C(NCCO)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The InChIKey is FALCGXVDMFJLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c33-12-9-29-26(34)18-3-10-32(11-4-18)25-22-2-7-27-17-20(22)15-23(31-25)19-1-8-28-24(16-19)30-21-5-13-35-14-6-21/h1-2,7-8,15-18,21,33H,3-6,9-14H2,(H,28,30)(H,29,34).
What are the key properties of N-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
N-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46901053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).