[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid

C20H22N6O3 — CID 174158398

IUPAC[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid
SMILESCc1c(N)cncc1-c1cc2cc(N(C(=O)O)C3(C)CCOC3)ncc2c(N)n1
InChIInChI=1S/C20H22N6O3/c1-11-13(7-23-9-15(11)21)16-5-12-6-17(24-8-14(12)18(22)25-16)26(19(27)28)20(2)3-4-29-10-20/h5-9H,3-4,10,21H2,1-2H3,(H2,22,25)(H,27,28)
InChIKeyQUHPLJFIGXCUAC-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.83
Rot. Bonds3

About [8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid

[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid (PubChem CID 174158398) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is [8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid.

Molecular Properties

Compound Name[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid
PubChem CID174158398
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid
SMILESCc1c(N)cncc1-c1cc2cc(N(C(=O)O)C3(C)CCOC3)ncc2c(N)n1
InChIInChI=1S/C20H22N6O3/c1-11-13(7-23-9-15(11)21)16-5-12-6-17(24-8-14(12)18(22)25-16)26(19(27)28)20(2)3-4-29-10-20/h5-9H,3-4,10,21H2,1-2H3,(H2,22,25)(H,27,28)
InChIKeyQUHPLJFIGXCUAC-UHFFFAOYSA-N
XLogP2.83
TPSA140.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea
CID 135344907
[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]-(1,3-dimethyl-5-oxopyrrolidin-3-yl)carbamic acid
CID 174158421
(3-methyloxolan-3-yl) N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamate
CID 140921613
(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-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate
CID 157241389
N-[8-amino-6-[4-methyl-5-(methylamino)-3-pyridinyl]-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447705
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211
[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
trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 162609601
N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 142447326
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 135344663
[8-amino-7-fluoro-6-[4-methyl-5-(methylamino)-3-pyridinyl]isoquinolin-3-yl]-(3-hydroxy-3-methylcyclobutyl)carbamic acid
CID 146465003

Frequently Asked Questions

What is the IUPAC name of [8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid?
The IUPAC name of [8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid (CID 174158398) is [8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid.
What is the SMILES notation for [8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid?
The canonical SMILES for [8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid is Cc1c(N)cncc1-c1cc2cc(N(C(=O)O)C3(C)CCOC3)ncc2c(N)n1.
What is the InChIKey of [8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid?
The InChIKey is QUHPLJFIGXCUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-11-13(7-23-9-15(11)21)16-5-12-6-17(24-8-14(12)18(22)25-16)26(19(27)28)20(2)3-4-29-10-20/h5-9H,3-4,10,21H2,1-2H3,(H2,22,25)(H,27,28).
What are the key properties of [8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid?
[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid has a molecular weight of 394.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid is sourced from PubChem (CID 174158398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).