[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

C23H25N7O4 — CID 174158421

IUPAC[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
SMILESCc1c(-c2cc3cc(N(C(=O)O)C4(C)CC(=O)N(C)C4)ncc3c(N)n2)cnc2c1NCCO2
InChIInChI=1S/C23H25N7O4/c1-12-14(9-27-21-19(12)25-4-5-34-21)16-6-13-7-17(26-10-15(13)20(24)28-16)30(22(32)33)23(2)8-18(31)29(3)11-23/h6-7,9-10,25H,4-5,8,11H2,1-3H3,(H2,24,28)(H,32,33)
InChIKeyVDGMSNNCASQFGZ-UHFFFAOYSA-N
MW463.50 g/mol
LogP2.49
Rot. Bonds3

About [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

[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 (PubChem CID 174158421) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID174158421
Molecular FormulaC23H25N7O4
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC Name[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
SMILESCc1c(-c2cc3cc(N(C(=O)O)C4(C)CC(=O)N(C)C4)ncc3c(N)n2)cnc2c1NCCO2
InChIInChI=1S/C23H25N7O4/c1-12-14(9-27-21-19(12)25-4-5-34-21)16-6-13-7-17(26-10-15(13)20(24)28-16)30(22(32)33)23(2)8-18(31)29(3)11-23/h6-7,9-10,25H,4-5,8,11H2,1-3H3,(H2,24,28)(H,32,33)
InChIKeyVDGMSNNCASQFGZ-UHFFFAOYSA-N
XLogP2.49
TPSA146.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1c(-c2cc3cc(N(C(=O)O)C4(C)CC(=O)N(C)C4)ncc3c(N)n2)cnc2c1NCCO2.
What is the InChIKey of [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?
The InChIKey is VDGMSNNCASQFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-12-14(9-27-21-19(12)25-4-5-34-21)16-6-13-7-17(26-10-15(13)20(24)28-16)30(22(32)33)23(2)8-18(31)29(3)11-23/h6-7,9-10,25H,4-5,8,11H2,1-3H3,(H2,24,28)(H,32,33).
What are the key properties of [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?
[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 has a molecular weight of 463.50 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 174158421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).