2-(3-phenylpropylamino)pyridine-3-carboxylic acid

C15H16N2O2 — CID 60654935

IUPAC2-(3-phenylpropylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCCCc1ccccc1
InChIInChI=1S/C15H16N2O2/c18-15(19)13-9-5-11-17-14(13)16-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,16,17)(H,18,19)
InChIKeyGUYBPULKGGWCRQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.82
Rot. Bonds6

About 2-(3-phenylpropylamino)pyridine-3-carboxylic acid

2-(3-phenylpropylamino)pyridine-3-carboxylic acid (PubChem CID 60654935) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(3-phenylpropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-phenylpropylamino)pyridine-3-carboxylic acid
PubChem CID60654935
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(3-phenylpropylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCCCc1ccccc1
InChIInChI=1S/C15H16N2O2/c18-15(19)13-9-5-11-17-14(13)16-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,16,17)(H,18,19)
InChIKeyGUYBPULKGGWCRQ-UHFFFAOYSA-N
XLogP2.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
5-bromo-2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 63537491
2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid
CID 61218906
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62237813
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
2-(3-benzo[b][1]benzazepin-11-ylpropylamino)pyridine-3-carboxylic acid
CID 110169092
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797
2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
CID 43420764
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106400809
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
2-(2-cyclopentylethylamino)pyridine-3-carboxylic acid
CID 60731921

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-phenylpropylamino)pyridine-3-carboxylic acid (CID 60654935) is 2-(3-phenylpropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-phenylpropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-phenylpropylamino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1NCCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropylamino)pyridine-3-carboxylic acid?
The InChIKey is GUYBPULKGGWCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)13-9-5-11-17-14(13)16-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,16,17)(H,18,19).
What are the key properties of 2-(3-phenylpropylamino)pyridine-3-carboxylic acid?
2-(3-phenylpropylamino)pyridine-3-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 60654935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).