1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid

C15H15N5O4 — CID 154994799

IUPAC1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid
SMILES[H]/N=c1\cc(N2CCOc3nc(C(=O)O)ccc32)ccn1C(=O)NC
InChIInChI=1S/C15H15N5O4/c1-17-15(23)20-5-4-9(8-12(20)16)19-6-7-24-13-11(19)3-2-10(18-13)14(21)22/h2-5,8,16H,6-7H2,1H3,(H,17,23)(H,21,22)/b16-12+
InChIKeyNJBLGUBPAMZCNA-FOWTUZBSSA-N
MW329.32 g/mol
LogP0.78
Rot. Bonds2

About 1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid

1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid (PubChem CID 154994799) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid.

Molecular Properties

Compound Name1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid
PubChem CID154994799
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid
SMILES[H]/N=c1\cc(N2CCOc3nc(C(=O)O)ccc32)ccn1C(=O)NC
InChIInChI=1S/C15H15N5O4/c1-17-15(23)20-5-4-9(8-12(20)16)19-6-7-24-13-11(19)3-2-10(18-13)14(21)22/h2-5,8,16H,6-7H2,1H3,(H,17,23)(H,21,22)/b16-12+
InChIKeyNJBLGUBPAMZCNA-FOWTUZBSSA-N
XLogP0.78
TPSA120.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid?
The IUPAC name of 1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid (CID 154994799) is 1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid.
What is the SMILES notation for 1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid?
The canonical SMILES for 1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid is [H]/N=c1\cc(N2CCOc3nc(C(=O)O)ccc32)ccn1C(=O)NC.
What is the InChIKey of 1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid?
The InChIKey is NJBLGUBPAMZCNA-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-17-15(23)20-5-4-9(8-12(20)16)19-6-7-24-13-11(19)3-2-10(18-13)14(21)22/h2-5,8,16H,6-7H2,1H3,(H,17,23)(H,21,22)/b16-12+.
What are the key properties of 1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid?
1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid has a molecular weight of 329.32 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid is sourced from PubChem (CID 154994799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).