4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid

C16H17N3O2 — CID 63180412

IUPAC4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccc(N3CCCC3)cc2)ccn1
InChIInChI=1S/C16H17N3O2/c20-16(21)15-11-13(7-8-17-15)18-12-3-5-14(6-4-12)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,17,18)(H,20,21)
InChIKeySLAFBCFBCAKDQC-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.12
Rot. Bonds4

About 4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid

4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid (PubChem CID 63180412) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
PubChem CID63180412
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccc(N3CCCC3)cc2)ccn1
InChIInChI=1S/C16H17N3O2/c20-16(21)15-11-13(7-8-17-15)18-12-3-5-14(6-4-12)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,17,18)(H,20,21)
InChIKeySLAFBCFBCAKDQC-UHFFFAOYSA-N
XLogP3.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109201439
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109218364
N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109203383
azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218895
4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218893
(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-2-carboxylic acid
CID 43143014

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid (CID 63180412) is 4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid is O=C(O)c1cc(Nc2ccc(N3CCCC3)cc2)ccn1.
What is the InChIKey of 4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid?
The InChIKey is SLAFBCFBCAKDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(21)15-11-13(7-8-17-15)18-12-3-5-14(6-4-12)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,17,18)(H,20,21).
What are the key properties of 4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid?
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 63180412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).