N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine

C22H26N6O — CID 46899901

IUPACN-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
SMILESc1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCOCC4)c3)cc2cn1
InChIInChI=1S/C22H26N6O/c1-6-25-21(26-18-3-11-29-12-4-18)14-16(1)20-13-17-15-24-5-2-19(17)22(27-20)28-9-7-23-8-10-28/h1-2,5-6,13-15,18,23H,3-4,7-12H2,(H,25,26)
InChIKeySEYQRQBRHJEPCK-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.69
Rot. Bonds4

About N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine

N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine (PubChem CID 46899901) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
PubChem CID46899901
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
SMILESc1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCOCC4)c3)cc2cn1
InChIInChI=1S/C22H26N6O/c1-6-25-21(26-18-3-11-29-12-4-18)14-16(1)20-13-17-15-24-5-2-19(17)22(27-20)28-9-7-23-8-10-28/h1-2,5-6,13-15,18,23H,3-4,7-12H2,(H,25,26)
InChIKeySEYQRQBRHJEPCK-UHFFFAOYSA-N
XLogP2.69
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine (CID 46899901) is N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine?
The canonical SMILES for N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine is c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCOCC4)c3)cc2cn1.
What is the InChIKey of N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine?
The InChIKey is SEYQRQBRHJEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-6-25-21(26-18-3-11-29-12-4-18)14-16(1)20-13-17-15-24-5-2-19(17)22(27-20)28-9-7-23-8-10-28/h1-2,5-6,13-15,18,23H,3-4,7-12H2,(H,25,26).
What are the key properties of N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine?
N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine has a molecular weight of 390.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 46899901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).