5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid

C14H19N3O3 — CID 63274999

IUPAC5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCN1CCC(CN(C)C(=O)c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H19N3O3/c1-16-6-5-10(8-16)9-17(2)13(18)11-3-4-12(14(19)20)15-7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyYNHRMZJBNQXLSD-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.80
Rot. Bonds4

About 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid

5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 63274999) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID63274999
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCN1CCC(CN(C)C(=O)c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H19N3O3/c1-16-6-5-10(8-16)9-17(2)13(18)11-3-4-12(14(19)20)15-7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyYNHRMZJBNQXLSD-UHFFFAOYSA-N
XLogP0.80
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 79315921
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 113265016
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274929
5-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 63275515
6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63235015
4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 104782905
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 115115910
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
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-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid (CID 63274999) is 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid is CN1CCC(CN(C)C(=O)c2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is YNHRMZJBNQXLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-6-5-10(8-16)9-17(2)13(18)11-3-4-12(14(19)20)15-7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63274999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).