(6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate

C20H21N3O2 — CID 66633722

IUPAC(6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)OCc1ccc(C(C)(C)C)nc1
InChIInChI=1S/C20H21N3O2/c1-13-16(10-15-6-5-9-21-18(15)23-13)19(24)25-12-14-7-8-17(22-11-14)20(2,3)4/h5-11H,12H2,1-4H3
InChIKeyZXEDSXHSHPGGAK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.99
Rot. Bonds3

About (6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate

(6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 66633722) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name(6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID66633722
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)OCc1ccc(C(C)(C)C)nc1
InChIInChI=1S/C20H21N3O2/c1-13-16(10-15-6-5-9-21-18(15)23-13)19(24)25-12-14-7-8-17(22-11-14)20(2,3)4/h5-11H,12H2,1-4H3
InChIKeyZXEDSXHSHPGGAK-UHFFFAOYSA-N
XLogP3.99
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of (6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate (CID 66633722) is (6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for (6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for (6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate is Cc1nc2ncccc2cc1C(=O)OCc1ccc(C(C)(C)C)nc1.
What is the InChIKey of (6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is ZXEDSXHSHPGGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-16(10-15-6-5-9-21-18(15)23-13)19(24)25-12-14-7-8-17(22-11-14)20(2,3)4/h5-11H,12H2,1-4H3.
What are the key properties of (6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
(6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 335.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 66633722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).