tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C19H24N4O2 — CID 75441846

IUPACtert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2ncc(NCc3cccnc3)cc2C1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)25-18(24)23-8-6-17-15(13-23)9-16(12-22-17)21-11-14-5-4-7-20-10-14/h4-5,7,9-10,12,21H,6,8,11,13H2,1-3H3
InChIKeyPYCZRFQLKMLIKB-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.38
Rot. Bonds3

About tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 75441846) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID75441846
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Nametert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2ncc(NCc3cccnc3)cc2C1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)25-18(24)23-8-6-17-15(13-23)9-16(12-22-17)21-11-14-5-4-7-20-10-14/h4-5,7,9-10,12,21H,6,8,11,13H2,1-3H3
InChIKeyPYCZRFQLKMLIKB-UHFFFAOYSA-N
XLogP3.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
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(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
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tert-butyl 3-(pyridin-3-ylmethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 75441846) is tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2ncc(NCc3cccnc3)cc2C1.
What is the InChIKey of tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is PYCZRFQLKMLIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(2,3)25-18(24)23-8-6-17-15(13-23)9-16(12-22-17)21-11-14-5-4-7-20-10-14/h4-5,7,9-10,12,21H,6,8,11,13H2,1-3H3.
What are the key properties of tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(pyridin-3-ylmethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 75441846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).