5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

C13H18N4O3 — CID 106321433

IUPAC5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCNC(=O)C1(C)CCN(c2ncc(C(=O)O)cc2N)C1
InChIInChI=1S/C13H18N4O3/c1-13(12(20)15-2)3-4-17(7-13)10-9(14)5-8(6-16-10)11(18)19/h5-6H,3-4,7,14H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyPZIKMZDNZGQBHD-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.32
Rot. Bonds3

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

5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 106321433) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID106321433
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCNC(=O)C1(C)CCN(c2ncc(C(=O)O)cc2N)C1
InChIInChI=1S/C13H18N4O3/c1-13(12(20)15-2)3-4-17(7-13)10-9(14)5-8(6-16-10)11(18)19/h5-6H,3-4,7,14H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyPZIKMZDNZGQBHD-UHFFFAOYSA-N
XLogP0.32
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-5-bromo-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317398
3-amino-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106321390
1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322468
1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322406
5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid
CID 81447711
5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 75355651
5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 106318842
N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322506
1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106320992
1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321073
1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321026
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 106321433) is 5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is CNC(=O)C1(C)CCN(c2ncc(C(=O)O)cc2N)C1.
What is the InChIKey of 5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is PZIKMZDNZGQBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-13(12(20)15-2)3-4-17(7-13)10-9(14)5-8(6-16-10)11(18)19/h5-6H,3-4,7,14H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 106321433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).