N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine

C17H18N4 — CID 135390225

IUPACN-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine
SMILESCC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C17H18N4/c1-17(2,3)21-15-10-14(12-4-7-18-8-5-12)20-16-11-19-9-6-13(15)16/h4-11H,1-3H3,(H,20,21)
InChIKeyOLUIHIBCEWNDET-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.90
Rot. Bonds2

About N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine

N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine (PubChem CID 135390225) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine
PubChem CID135390225
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine
SMILESCC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C17H18N4/c1-17(2,3)21-15-10-14(12-4-7-18-8-5-12)20-16-11-19-9-6-13(15)16/h4-11H,1-3H3,(H,20,21)
InChIKeyOLUIHIBCEWNDET-UHFFFAOYSA-N
XLogP3.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine?
The IUPAC name of N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine (CID 135390225) is N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine.
What is the SMILES notation for N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine?
The canonical SMILES for N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine is CC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine?
The InChIKey is OLUIHIBCEWNDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-17(2,3)21-15-10-14(12-4-7-18-8-5-12)20-16-11-19-9-6-13(15)16/h4-11H,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine?
N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine is sourced from PubChem (CID 135390225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).