3-(N-butylanilino)pyrazine-2-carboxylic acid

C15H17N3O2 — CID 64584671

IUPAC3-(N-butylanilino)pyrazine-2-carboxylic acid
SMILESCCCCN(c1ccccc1)c1nccnc1C(=O)O
InChIInChI=1S/C15H17N3O2/c1-2-3-11-18(12-7-5-4-6-8-12)14-13(15(19)20)16-9-10-17-14/h4-10H,2-3,11H2,1H3,(H,19,20)
InChIKeyRZIANMWZCRLFQA-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.11
Rot. Bonds6

About 3-(N-butylanilino)pyrazine-2-carboxylic acid

3-(N-butylanilino)pyrazine-2-carboxylic acid (PubChem CID 64584671) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(N-butylanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(N-butylanilino)pyrazine-2-carboxylic acid
PubChem CID64584671
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(N-butylanilino)pyrazine-2-carboxylic acid
SMILESCCCCN(c1ccccc1)c1nccnc1C(=O)O
InChIInChI=1S/C15H17N3O2/c1-2-3-11-18(12-7-5-4-6-8-12)14-13(15(19)20)16-9-10-17-14/h4-10H,2-3,11H2,1H3,(H,19,20)
InChIKeyRZIANMWZCRLFQA-UHFFFAOYSA-N
XLogP3.11
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-ethylanilino)pyrazine-2-carboxylic acid
CID 62710006
6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid
CID 64584230
2-(N-butylanilino)pyridine-3-carbonitrile
CID 64586169
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
2-(N-butylanilino)benzoic acid
CID 64586364
N-butyl-4-(chloromethyl)-3-fluoro-N-phenylpyridin-2-amine
CID 105383645
N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine
CID 83063866
1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one
CID 115939016
[5-bromo-2-(N-butylanilino)-3-pyridinyl]methanol
CID 64585227
2-(N-butylanilino)-5-methylbenzoic acid
CID 64586948
N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312336
4-amino-2-(N-butylanilino)benzoic acid
CID 64584256

Frequently Asked Questions

What is the IUPAC name of 3-(N-butylanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(N-butylanilino)pyrazine-2-carboxylic acid (CID 64584671) is 3-(N-butylanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(N-butylanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(N-butylanilino)pyrazine-2-carboxylic acid is CCCCN(c1ccccc1)c1nccnc1C(=O)O.
What is the InChIKey of 3-(N-butylanilino)pyrazine-2-carboxylic acid?
The InChIKey is RZIANMWZCRLFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-3-11-18(12-7-5-4-6-8-12)14-13(15(19)20)16-9-10-17-14/h4-10H,2-3,11H2,1H3,(H,19,20).
What are the key properties of 3-(N-butylanilino)pyrazine-2-carboxylic acid?
3-(N-butylanilino)pyrazine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-butylanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 64584671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).