3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid

C16H13N3O2 — CID 62711505

IUPAC3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCc1cccc2ccccc12
InChIInChI=1S/C16H13N3O2/c20-16(21)14-15(18-9-8-17-14)19-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H,18,19)(H,20,21)
InChIKeyIZOYGBBXEGSTJX-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.94
Rot. Bonds4

About 3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid

3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid (PubChem CID 62711505) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid
PubChem CID62711505
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCc1cccc2ccccc12
InChIInChI=1S/C16H13N3O2/c20-16(21)14-15(18-9-8-17-14)19-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H,18,19)(H,20,21)
InChIKeyIZOYGBBXEGSTJX-UHFFFAOYSA-N
XLogP2.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(naphthalen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 62369628
3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 114701905
3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid
CID 106897804
3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 62711849
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid
CID 62369627
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazine-2-carboxylic acid
CID 106409530
3-(naphthalen-1-ylmethylamino)pyridazine-4-carbonitrile
CID 80509832
4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid
CID 91583170
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
3-(4-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 106844182

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid (CID 62711505) is 3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NCc1cccc2ccccc12.
What is the InChIKey of 3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid?
The InChIKey is IZOYGBBXEGSTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(21)14-15(18-9-8-17-14)19-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H,18,19)(H,20,21).
What are the key properties of 3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid?
3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62711505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).