1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine

C22H26N6 — CID 58398186

IUPAC1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine
SMILESCN1CCN(c2ccc(-c3cc4ncccc4c(N4CC(N)C4)n3)cc2)CC1
InChIInChI=1S/C22H26N6/c1-26-9-11-27(12-10-26)18-6-4-16(5-7-18)20-13-21-19(3-2-8-24-21)22(25-20)28-14-17(23)15-28/h2-8,13,17H,9-12,14-15,23H2,1H3
InChIKeyXOUSQUFRUVWNTQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.20
Rot. Bonds3

About 1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine

1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine (PubChem CID 58398186) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine.

Molecular Properties

Compound Name1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine
PubChem CID58398186
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine
SMILESCN1CCN(c2ccc(-c3cc4ncccc4c(N4CC(N)C4)n3)cc2)CC1
InChIInChI=1S/C22H26N6/c1-26-9-11-27(12-10-26)18-6-4-16(5-7-18)20-13-21-19(3-2-8-24-21)22(25-20)28-14-17(23)15-28/h2-8,13,17H,9-12,14-15,23H2,1H3
InChIKeyXOUSQUFRUVWNTQ-UHFFFAOYSA-N
XLogP2.20
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
Baquiloprim
CID 9861430
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377

Frequently Asked Questions

What is the IUPAC name of 1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine?
The IUPAC name of 1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine (CID 58398186) is 1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine.
What is the SMILES notation for 1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine?
The canonical SMILES for 1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine is CN1CCN(c2ccc(-c3cc4ncccc4c(N4CC(N)C4)n3)cc2)CC1.
What is the InChIKey of 1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine?
The InChIKey is XOUSQUFRUVWNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-26-9-11-27(12-10-26)18-6-4-16(5-7-18)20-13-21-19(3-2-8-24-21)22(25-20)28-14-17(23)15-28/h2-8,13,17H,9-12,14-15,23H2,1H3.
What are the key properties of 1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine?
1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine has a molecular weight of 374.49 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine is sourced from PubChem (CID 58398186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).