N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C23H24N4O3 — CID 67425753

IUPACN-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C23H24N4O3/c28-22(26-16-17-10-14-29-15-11-17)20-4-3-13-25-23(20)30-19-8-6-18(7-9-19)27-21-5-1-2-12-24-21/h1-9,12-13,17H,10-11,14-16H2,(H,24,27)(H,26,28)
InChIKeySBSITDFVMRUGGO-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.17
Rot. Bonds7

About N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 67425753) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID67425753
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C23H24N4O3/c28-22(26-16-17-10-14-29-15-11-17)20-4-3-13-25-23(20)30-19-8-6-18(7-9-19)27-21-5-1-2-12-24-21/h1-9,12-13,17H,10-11,14-16H2,(H,24,27)(H,26,28)
InChIKeySBSITDFVMRUGGO-UHFFFAOYSA-N
XLogP4.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 67425753) is N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is O=C(NCC1CCOCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is SBSITDFVMRUGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-22(26-16-17-10-14-29-15-11-17)20-4-3-13-25-23(20)30-19-8-6-18(7-9-19)27-21-5-1-2-12-24-21/h1-9,12-13,17H,10-11,14-16H2,(H,24,27)(H,26,28).
What are the key properties of N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 67425753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).