8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one

C20H25N5O — CID 58167093

IUPAC8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
SMILESCCn1ccc2cc(Nc3cc(C)ccn3)nc(NC(C)(C)C)c2c1=O
InChIInChI=1S/C20H25N5O/c1-6-25-10-8-14-12-16(22-15-11-13(2)7-9-21-15)23-18(17(14)19(25)26)24-20(3,4)5/h7-12H,6H2,1-5H3,(H2,21,22,23,24)
InChIKeyGPBMXGOUFGMFAN-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.07
Rot. Bonds4

About 8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one

8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one (PubChem CID 58167093) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
PubChem CID58167093
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
SMILESCCn1ccc2cc(Nc3cc(C)ccn3)nc(NC(C)(C)C)c2c1=O
InChIInChI=1S/C20H25N5O/c1-6-25-10-8-14-12-16(22-15-11-13(2)7-9-21-15)23-18(17(14)19(25)26)24-20(3,4)5/h7-12H,6H2,1-5H3,(H2,21,22,23,24)
InChIKeyGPBMXGOUFGMFAN-UHFFFAOYSA-N
XLogP4.07
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
The IUPAC name of 8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one (CID 58167093) is 8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one is CCn1ccc2cc(Nc3cc(C)ccn3)nc(NC(C)(C)C)c2c1=O.
What is the InChIKey of 8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
The InChIKey is GPBMXGOUFGMFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-6-25-10-8-14-12-16(22-15-11-13(2)7-9-21-15)23-18(17(14)19(25)26)24-20(3,4)5/h7-12H,6H2,1-5H3,(H2,21,22,23,24).
What are the key properties of 8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one has a molecular weight of 351.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one is sourced from PubChem (CID 58167093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).