(4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate

C18H17N3O2 — CID 11460974

IUPAC(4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate
SMILESCc1ccc(COC(=O)Nc2cc3cccnc3nc2C)cc1
InChIInChI=1S/C18H17N3O2/c1-12-5-7-14(8-6-12)11-23-18(22)21-16-10-15-4-3-9-19-17(15)20-13(16)2/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyDVMROYAJDNXUGX-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.00
Rot. Bonds3

About (4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate

(4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate (PubChem CID 11460974) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate.

Molecular Properties

Compound Name(4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate
PubChem CID11460974
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate
SMILESCc1ccc(COC(=O)Nc2cc3cccnc3nc2C)cc1
InChIInChI=1S/C18H17N3O2/c1-12-5-7-14(8-6-12)11-23-18(22)21-16-10-15-4-3-9-19-17(15)20-13(16)2/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyDVMROYAJDNXUGX-UHFFFAOYSA-N
XLogP4.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate
CID 11311488
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
CID 4860708
1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea
CID 46947661
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
2-hydroxy-3-[(4-methylphenyl)methoxycarbonylamino]benzoic acid
CID 19000800
(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
methyl 4,5-difluoro-2-[(4-methylphenyl)methoxycarbonylamino]benzoate
CID 169223401
(4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate
CID 102223125
(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate?
The IUPAC name of (4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate (CID 11460974) is (4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate.
What is the SMILES notation for (4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate?
The canonical SMILES for (4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate is Cc1ccc(COC(=O)Nc2cc3cccnc3nc2C)cc1.
What is the InChIKey of (4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate?
The InChIKey is DVMROYAJDNXUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-5-7-14(8-6-12)11-23-18(22)21-16-10-15-4-3-9-19-17(15)20-13(16)2/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of (4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate?
(4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate has a molecular weight of 307.35 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate is sourced from PubChem (CID 11460974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).