6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid

C12H17N3O2 — CID 61404521

IUPAC6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCCNC2CC2)nc1
InChIInChI=1S/C12H17N3O2/c16-12(17)9-2-5-11(15-8-9)14-7-1-6-13-10-3-4-10/h2,5,8,10,13H,1,3-4,6-7H2,(H,14,15)(H,16,17)
InChIKeyNYPNIRHMTCPNID-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.33
Rot. Bonds7

About 6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid

6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid (PubChem CID 61404521) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid
PubChem CID61404521
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCCNC2CC2)nc1
InChIInChI=1S/C12H17N3O2/c16-12(17)9-2-5-11(15-8-9)14-7-1-6-13-10-3-4-10/h2,5,8,10,13H,1,3-4,6-7H2,(H,14,15)(H,16,17)
InChIKeyNYPNIRHMTCPNID-UHFFFAOYSA-N
XLogP1.33
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine
CID 106504375
5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
CID 61408527
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003848
6-(cyclopropylcarbamoylamino)pyridine-3-carboxylic acid
CID 62697960
[4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 131898169
4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
CID 61404666
6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
6-(2,3-dihydro-1H-inden-2-ylamino)pyridine-3-carboxylic acid
CID 114009300

Frequently Asked Questions

What is the IUPAC name of 6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid (CID 61404521) is 6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NCCCNC2CC2)nc1.
What is the InChIKey of 6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid?
The InChIKey is NYPNIRHMTCPNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(17)9-2-5-11(15-8-9)14-7-1-6-13-10-3-4-10/h2,5,8,10,13H,1,3-4,6-7H2,(H,14,15)(H,16,17).
What are the key properties of 6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid?
6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61404521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).