N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide

C13H18N4O2 — CID 171851711

IUPACN-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cncc(NC)c1
InChIInChI=1S/C13H18N4O2/c1-14-10-6-9(7-16-8-10)13(19)17-5-3-4-11(17)12(18)15-2/h6-8,11,14H,3-5H2,1-2H3,(H,15,18)
InChIKeyHLBLHYPLGYUPTM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.47
Rot. Bonds3

About N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide

N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 171851711) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
PubChem CID171851711
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cncc(NC)c1
InChIInChI=1S/C13H18N4O2/c1-14-10-6-9(7-16-8-10)13(19)17-5-3-4-11(17)12(18)15-2/h6-8,11,14H,3-5H2,1-2H3,(H,15,18)
InChIKeyHLBLHYPLGYUPTM-UHFFFAOYSA-N
XLogP0.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 61053437
1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60749477
1-(6-fluoropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63978579
1-(4-amino-3-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 62681861
1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 50816019
1-(5-hydroxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45074740
1-(5-aminopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 110488370
1-[3-fluoro-5-(methylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 123366521
1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 63859028
1-(5-amino-2-methylpyridine-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 54979008
(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 66263120
1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 62953067

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide (CID 171851711) is N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1cncc(NC)c1.
What is the InChIKey of N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is HLBLHYPLGYUPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-10-6-9(7-16-8-10)13(19)17-5-3-4-11(17)12(18)15-2/h6-8,11,14H,3-5H2,1-2H3,(H,15,18).
What are the key properties of N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 171851711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).