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

C14H19N3O3 — CID 79315921

IUPAC5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCN(CC1CCCN1C)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c1-16-7-3-4-11(16)9-17(2)13(18)10-5-6-12(14(19)20)15-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKeyOJGWMKYOJVZTST-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.95
Rot. Bonds4

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

5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 79315921) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID79315921
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCN(CC1CCCN1C)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c1-16-7-3-4-11(16)9-17(2)13(18)10-5-6-12(14(19)20)15-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKeyOJGWMKYOJVZTST-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303600
5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 79314462
3,5-dihydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 107704093
5-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 79311186
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 79319888
4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 77086645
5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106020904
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
2-hydroxy-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79319088
2-fluoro-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 81480578

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid (CID 79315921) is 5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid is CN(CC1CCCN1C)C(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OJGWMKYOJVZTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-7-3-4-11(16)9-17(2)13(18)10-5-6-12(14(19)20)15-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,19,20).
What are the key properties of 5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.95, 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-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 79315921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).