2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid

C15H23N3O2 — CID 43176732

IUPAC2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
SMILESCC1CCCCN1CCCNc1cc(C(=O)O)ccn1
InChIInChI=1S/C15H23N3O2/c1-12-5-2-3-9-18(12)10-4-7-16-14-11-13(15(19)20)6-8-17-14/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,16,17)(H,19,20)
InChIKeyMHNZMBBTOVOYIV-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.46
Rot. Bonds6

About 2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid

2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid (PubChem CID 43176732) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
PubChem CID43176732
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
SMILESCC1CCCCN1CCCNc1cc(C(=O)O)ccn1
InChIInChI=1S/C15H23N3O2/c1-12-5-2-3-9-18(12)10-4-7-16-14-11-13(15(19)20)6-8-17-14/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,16,17)(H,19,20)
InChIKeyMHNZMBBTOVOYIV-UHFFFAOYSA-N
XLogP2.46
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid
CID 107553233
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid
CID 81229069
2-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]benzoic acid
CID 81273437
4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 133383415
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 154463494
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 94099324
methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
CID 66457281
N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53036766
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid (CID 43176732) is 2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid is CC1CCCCN1CCCNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid?
The InChIKey is MHNZMBBTOVOYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-5-2-3-9-18(12)10-4-7-16-14-11-13(15(19)20)6-8-17-14/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid?
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 43176732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).