2-(4-butylanilino)pyridine-4-carboxylic acid

C16H18N2O2 — CID 43244051

IUPAC2-(4-butylanilino)pyridine-4-carboxylic acid
SMILESCCCCc1ccc(Nc2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-3-4-12-5-7-14(8-6-12)18-15-11-13(16(19)20)9-10-17-15/h5-11H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeySTZNIGUGHMAXOT-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.87
Rot. Bonds6

About 2-(4-butylanilino)pyridine-4-carboxylic acid

2-(4-butylanilino)pyridine-4-carboxylic acid (PubChem CID 43244051) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-butylanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-butylanilino)pyridine-4-carboxylic acid
PubChem CID43244051
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(4-butylanilino)pyridine-4-carboxylic acid
SMILESCCCCc1ccc(Nc2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-3-4-12-5-7-14(8-6-12)18-15-11-13(16(19)20)9-10-17-15/h5-11H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeySTZNIGUGHMAXOT-UHFFFAOYSA-N
XLogP3.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-butylanilino)pyridine-3-carboxylic acid
CID 43378526
N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
CID 109175537
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
CID 13082139
6-(4-butylanilino)pyrazine-2-carboxylic acid
CID 66457204
N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294537
N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109175363
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
2-(naphthalen-2-ylamino)pyridine-4-carboxylic acid
CID 60726061
N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80895038
N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
CID 109165508
2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid
CID 81266781

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-butylanilino)pyridine-4-carboxylic acid (CID 43244051) is 2-(4-butylanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-butylanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-butylanilino)pyridine-4-carboxylic acid is CCCCc1ccc(Nc2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-(4-butylanilino)pyridine-4-carboxylic acid?
The InChIKey is STZNIGUGHMAXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-3-4-12-5-7-14(8-6-12)18-15-11-13(16(19)20)9-10-17-15/h5-11H,2-4H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-butylanilino)pyridine-4-carboxylic acid?
2-(4-butylanilino)pyridine-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 43244051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).