(3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate

C20H21N5O3 — CID 157241389

IUPAC(3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate
SMILESCc1c(N)cccc1-c1cc2cc(NC(=O)OC3(C)COC3)ncc2c(N)n1
InChIInChI=1S/C20H21N5O3/c1-11-13(4-3-5-15(11)21)16-6-12-7-17(23-8-14(12)18(22)24-16)25-19(26)28-20(2)9-27-10-20/h3-8H,9-10,21H2,1-2H3,(H2,22,24)(H,23,25,26)
InChIKeyMHQGMUJEDVKLLQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.11
Rot. Bonds3

About (3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate

(3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate (PubChem CID 157241389) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is (3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate
PubChem CID157241389
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name(3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate
SMILESCc1c(N)cccc1-c1cc2cc(NC(=O)OC3(C)COC3)ncc2c(N)n1
InChIInChI=1S/C20H21N5O3/c1-11-13(4-3-5-15(11)21)16-6-12-7-17(23-8-14(12)18(22)24-16)25-19(26)28-20(2)9-27-10-20/h3-8H,9-10,21H2,1-2H3,(H2,22,24)(H,23,25,26)
InChIKeyMHQGMUJEDVKLLQ-UHFFFAOYSA-N
XLogP3.11
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 142447326
[(3S)-1,1-dioxothiolan-3-yl] N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate
CID 158743870
(3-methyloxolan-3-yl) N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamate
CID 140921116
(3-methyloxolan-3-yl) N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate
CID 140921613
1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea
CID 135344907
(1-acetyl-3-methylazetidin-3-yl) N-[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]carbamate
CID 157092842
cis-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 158215119
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211
(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 158533102
[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamic acid
CID 135345113
[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
CID 135344703
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 135344663

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate?
The IUPAC name of (3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate (CID 157241389) is (3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate.
What is the SMILES notation for (3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate?
The canonical SMILES for (3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate is Cc1c(N)cccc1-c1cc2cc(NC(=O)OC3(C)COC3)ncc2c(N)n1.
What is the InChIKey of (3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate?
The InChIKey is MHQGMUJEDVKLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-11-13(4-3-5-15(11)21)16-6-12-7-17(23-8-14(12)18(22)24-16)25-19(26)28-20(2)9-27-10-20/h3-8H,9-10,21H2,1-2H3,(H2,22,24)(H,23,25,26).
What are the key properties of (3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate?
(3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate has a molecular weight of 379.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 157241389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).