N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine

C13H16ClN3 — CID 165046300

IUPACN-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine
SMILESCc1cnc2c(NC(C)(C)C)nc(Cl)cc2c1
InChIInChI=1S/C13H16ClN3/c1-8-5-9-6-10(14)16-12(11(9)15-7-8)17-13(2,3)4/h5-7H,1-4H3,(H,16,17)
InChIKeyQQXJMKMSBVCQPK-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.80
Rot. Bonds1

About N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine

N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine (PubChem CID 165046300) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine.

Molecular Properties

Compound NameN-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine
PubChem CID165046300
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine
SMILESCc1cnc2c(NC(C)(C)C)nc(Cl)cc2c1
InChIInChI=1S/C13H16ClN3/c1-8-5-9-6-10(14)16-12(11(9)15-7-8)17-13(2,3)4/h5-7H,1-4H3,(H,16,17)
InChIKeyQQXJMKMSBVCQPK-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine?
The IUPAC name of N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine (CID 165046300) is N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine.
What is the SMILES notation for N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine?
The canonical SMILES for N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine is Cc1cnc2c(NC(C)(C)C)nc(Cl)cc2c1.
What is the InChIKey of N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine?
The InChIKey is QQXJMKMSBVCQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-8-5-9-6-10(14)16-12(11(9)15-7-8)17-13(2,3)4/h5-7H,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine?
N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine has a molecular weight of 249.75 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine is sourced from PubChem (CID 165046300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).