N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine

C19H22N4O — CID 166359963

IUPACN-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine
SMILESCOc1ccc2nccc(NCc3cncc(C(C)(C)C)c3)c2n1
InChIInChI=1S/C19H22N4O/c1-19(2,3)14-9-13(10-20-12-14)11-22-16-7-8-21-15-5-6-17(24-4)23-18(15)16/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyBQRLGTQLJBOWIP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.94
Rot. Bonds4

About N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine

N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine (PubChem CID 166359963) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine
PubChem CID166359963
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine
SMILESCOc1ccc2nccc(NCc3cncc(C(C)(C)C)c3)c2n1
InChIInChI=1S/C19H22N4O/c1-19(2,3)14-9-13(10-20-12-14)11-22-16-7-8-21-15-5-6-17(24-4)23-18(15)16/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyBQRLGTQLJBOWIP-UHFFFAOYSA-N
XLogP3.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine?
The IUPAC name of N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine (CID 166359963) is N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine.
What is the SMILES notation for N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine?
The canonical SMILES for N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine is COc1ccc2nccc(NCc3cncc(C(C)(C)C)c3)c2n1.
What is the InChIKey of N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine?
The InChIKey is BQRLGTQLJBOWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-19(2,3)14-9-13(10-20-12-14)11-22-16-7-8-21-15-5-6-17(24-4)23-18(15)16/h5-10,12H,11H2,1-4H3,(H,21,22).
What are the key properties of N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine?
N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine has a molecular weight of 322.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine is sourced from PubChem (CID 166359963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).