tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate

C16H20N4O3 — CID 101036428

IUPACtert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate
SMILESCc1ccc2ccc(NC(=O)CNC(=O)OC(C)(C)C)nc2n1
InChIInChI=1S/C16H20N4O3/c1-10-5-6-11-7-8-12(20-14(11)18-10)19-13(21)9-17-15(22)23-16(2,3)4/h5-8H,9H2,1-4H3,(H,17,22)(H,18,19,20,21)
InChIKeyHFKFAWLKFLGKCO-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.40
Rot. Bonds3

About tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate (PubChem CID 101036428) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate
PubChem CID101036428
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nametert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate
SMILESCc1ccc2ccc(NC(=O)CNC(=O)OC(C)(C)C)nc2n1
InChIInChI=1S/C16H20N4O3/c1-10-5-6-11-7-8-12(20-14(11)18-10)19-13(21)9-17-15(22)23-16(2,3)4/h5-8H,9H2,1-4H3,(H,17,22)(H,18,19,20,21)
InChIKeyHFKFAWLKFLGKCO-UHFFFAOYSA-N
XLogP2.40
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate
CID 112997331
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 25239151
tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate
CID 102215304
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146
tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
CID 22308635
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094
tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate
CID 115748753
tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
CID 108917414
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate
CID 146265063
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate (CID 101036428) is tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate is Cc1ccc2ccc(NC(=O)CNC(=O)OC(C)(C)C)nc2n1.
What is the InChIKey of tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate?
The InChIKey is HFKFAWLKFLGKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-5-6-11-7-8-12(20-14(11)18-10)19-13(21)9-17-15(22)23-16(2,3)4/h5-8H,9H2,1-4H3,(H,17,22)(H,18,19,20,21).
What are the key properties of tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate has a molecular weight of 316.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 101036428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).