4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid

C11H15N3O2 — CID 61465381

IUPAC4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid
SMILESCN1CCC(Nc2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C11H15N3O2/c1-14-5-3-9(7-14)13-8-2-4-12-10(6-8)11(15)16/h2,4,6,9H,3,5,7H2,1H3,(H,12,13)(H,15,16)
InChIKeyLMULLLQGFCHFOU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.90
Rot. Bonds3

About 4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid

4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid (PubChem CID 61465381) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid
PubChem CID61465381
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid
SMILESCN1CCC(Nc2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C11H15N3O2/c1-14-5-3-9(7-14)13-8-2-4-12-10(6-8)11(15)16/h2,4,6,9H,3,5,7H2,1H3,(H,12,13)(H,15,16)
InChIKeyLMULLLQGFCHFOU-UHFFFAOYSA-N
XLogP0.90
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 43517657
4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 43143066
4-hydrazinyl-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 62248952
4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 64749962
4-(thiolan-3-ylamino)pyridine-2-carboxylic acid
CID 103063321
4-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid
CID 107853442
3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 107062071
N-methyl-4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 60703936
N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide
CID 64667795
6-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 61465352
N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide
CID 133366514
4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109202033

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid (CID 61465381) is 4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid is CN1CCC(Nc2ccnc(C(=O)O)c2)C1.
What is the InChIKey of 4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is LMULLLQGFCHFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14-5-3-9(7-14)13-8-2-4-12-10(6-8)11(15)16/h2,4,6,9H,3,5,7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid?
4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 61465381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).