3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid

C13H18ClN3O2 — CID 61477469

IUPAC3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
SMILESCC(CN1CCCC1)Nc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H18ClN3O2/c1-9(8-17-6-2-3-7-17)15-11-5-4-10(14)12(16-11)13(18)19/h4-5,9H,2-3,6-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyMREAOFQWXPMIFV-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.33
Rot. Bonds5

About 3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid

3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid (PubChem CID 61477469) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
PubChem CID61477469
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
SMILESCC(CN1CCCC1)Nc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H18ClN3O2/c1-9(8-17-6-2-3-7-17)15-11-5-4-10(14)12(16-11)13(18)19/h4-5,9H,2-3,6-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyMREAOFQWXPMIFV-UHFFFAOYSA-N
XLogP2.33
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 113407809
3-chloro-6-(piperidin-1-ylamino)pyridine-2-carboxylic acid
CID 83016199
3-chloro-4-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 63087140
methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate
CID 61222218
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62232558
2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid
CID 62088653
6-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-amine
CID 61474335
4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 83152888
6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 103888459
5-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 61474336
3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
CID 104591662
6-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 63586349

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid (CID 61477469) is 3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid is CC(CN1CCCC1)Nc1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid?
The InChIKey is MREAOFQWXPMIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9(8-17-6-2-3-7-17)15-11-5-4-10(14)12(16-11)13(18)19/h4-5,9H,2-3,6-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid?
3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid has a molecular weight of 283.76 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 61477469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).