5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid

C13H18ClN3O2 — CID 63273907

IUPAC5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid
SMILESCN1CCC(CN(C)c2ncc(C(=O)O)cc2Cl)C1
InChIInChI=1S/C13H18ClN3O2/c1-16-4-3-9(7-16)8-17(2)12-11(14)5-10(6-15-12)13(18)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyLNRFNFZZRHFVKC-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.82
Rot. Bonds4

About 5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid

5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid (PubChem CID 63273907) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid
PubChem CID63273907
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid
SMILESCN1CCC(CN(C)c2ncc(C(=O)O)cc2Cl)C1
InChIInChI=1S/C13H18ClN3O2/c1-16-4-3-9(7-16)8-17(2)12-11(14)5-10(6-15-12)13(18)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyLNRFNFZZRHFVKC-UHFFFAOYSA-N
XLogP1.82
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol
CID 55172012
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carboxylic acid
CID 55170476
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63236339
5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide
CID 75418381
5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63025804
5-chloro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1H-pyrimidin-6-one
CID 137009644
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
5-chloro-6-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyridine-3-carboxamide
CID 129330222
5-chloro-6-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyridine-3-carboxamide
CID 129330221
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80636014
5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid
CID 54980980
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid (CID 63273907) is 5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid is CN1CCC(CN(C)c2ncc(C(=O)O)cc2Cl)C1.
What is the InChIKey of 5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is LNRFNFZZRHFVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-16-4-3-9(7-16)8-17(2)12-11(14)5-10(6-15-12)13(18)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid?
5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 283.76 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63273907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).