6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid

C20H17N5O4 — CID 58346095

IUPAC6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc3c(n2)N(C(=O)Nc2ccccc2)CCO3)nc1
InChIInChI=1S/C20H17N5O4/c26-19(27)13-6-8-16(21-12-13)23-17-9-7-15-18(24-17)25(10-11-29-15)20(28)22-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,22,28)(H,26,27)(H,21,23,24)
InChIKeyUFTNQMPANXKPDW-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.35
Rot. Bonds4

About 6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid

6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid (PubChem CID 58346095) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid
PubChem CID58346095
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc3c(n2)N(C(=O)Nc2ccccc2)CCO3)nc1
InChIInChI=1S/C20H17N5O4/c26-19(27)13-6-8-16(21-12-13)23-17-9-7-15-18(24-17)25(10-11-29-15)20(28)22-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,22,28)(H,26,27)(H,21,23,24)
InChIKeyUFTNQMPANXKPDW-UHFFFAOYSA-N
XLogP3.35
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid (CID 58346095) is 6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(Nc2ccc3c(n2)N(C(=O)Nc2ccccc2)CCO3)nc1.
What is the InChIKey of 6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is UFTNQMPANXKPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c26-19(27)13-6-8-16(21-12-13)23-17-9-7-15-18(24-17)25(10-11-29-15)20(28)22-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,22,28)(H,26,27)(H,21,23,24).
What are the key properties of 6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid?
6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 391.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 58346095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).