6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid

C17H11N5O3 — CID 45269554

IUPAC6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid
SMILESN#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1
InChIInChI=1S/C17H11N5O3/c18-7-14-8-20-15(9-19-14)22-17(25)21-13-4-3-10-5-12(16(23)24)2-1-11(10)6-13/h1-6,8-9H,(H,23,24)(H2,20,21,22,25)
InChIKeyCACMTVGXYAZZNY-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.84
Rot. Bonds3

About 6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid

6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid (PubChem CID 45269554) has the molecular formula C17H11N5O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid
PubChem CID45269554
Molecular FormulaC17H11N5O3
Molecular Weight333.31 g/mol
Exact Mass333.09
IUPAC Name6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid
SMILESN#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1
InChIInChI=1S/C17H11N5O3/c18-7-14-8-20-15(9-19-14)22-17(25)21-13-4-3-10-5-12(16(23)24)2-1-11(10)6-13/h1-6,8-9H,(H,23,24)(H2,20,21,22,25)
InChIKeyCACMTVGXYAZZNY-UHFFFAOYSA-N
XLogP2.84
TPSA128.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid (CID 45269554) is 6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid is N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1.
What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid?
The InChIKey is CACMTVGXYAZZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O3/c18-7-14-8-20-15(9-19-14)22-17(25)21-13-4-3-10-5-12(16(23)24)2-1-11(10)6-13/h1-6,8-9H,(H,23,24)(H2,20,21,22,25).
What are the key properties of 6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid?
6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid has a molecular weight of 333.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyanopyrazin-2-yl)carbamoylamino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 45269554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).