tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate

C19H21N5O2 — CID 176666664

IUPACtert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate
SMILESCc1nccc(-c2ccc3cnc(CNC(=O)OC(C)(C)C)cc3n2)n1
InChIInChI=1S/C19H21N5O2/c1-12-20-8-7-16(23-12)15-6-5-13-10-21-14(9-17(13)24-15)11-22-18(25)26-19(2,3)4/h5-10H,11H2,1-4H3,(H,22,25)
InChIKeyZEEWJOLAPDDQOD-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.42
Rot. Bonds3

About tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate

tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate (PubChem CID 176666664) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate
PubChem CID176666664
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Nametert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate
SMILESCc1nccc(-c2ccc3cnc(CNC(=O)OC(C)(C)C)cc3n2)n1
InChIInChI=1S/C19H21N5O2/c1-12-20-8-7-16(23-12)15-6-5-13-10-21-14(9-17(13)24-15)11-22-18(25)26-19(2,3)4/h5-10H,11H2,1-4H3,(H,22,25)
InChIKeyZEEWJOLAPDDQOD-UHFFFAOYSA-N
XLogP3.42
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate
CID 176904972
tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate
CID 66523268
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate
CID 156818686
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
tert-butyl N-[(6-chloropyrido[3,2-c]pyridazin-3-yl)methyl]carbamate
CID 156818946
tert-butyl N-[(2-methylsulfanylpyrimidin-4-yl)methyl]carbamate
CID 91759510
4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]benzoic acid
CID 18617692
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate
CID 166103677
tert-butyl N-[[5-chloro-4-(difluoromethoxy)-2-pyridinyl]methyl]carbamate
CID 137346829

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate (CID 176666664) is tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate is Cc1nccc(-c2ccc3cnc(CNC(=O)OC(C)(C)C)cc3n2)n1.
What is the InChIKey of tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate?
The InChIKey is ZEEWJOLAPDDQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-20-8-7-16(23-12)15-6-5-13-10-21-14(9-17(13)24-15)11-22-18(25)26-19(2,3)4/h5-10H,11H2,1-4H3,(H,22,25).
What are the key properties of tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate?
tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate has a molecular weight of 351.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate is sourced from PubChem (CID 176666664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).