(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide

C13H17N3O2 — CID 128984202

IUPAC(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cn1
InChIInChI=1S/C13H17N3O2/c1-8-6-16(7-11(8)12(14)17)13(18)10-4-3-9(2)15-5-10/h3-5,8,11H,6-7H2,1-2H3,(H2,14,17)/t8-,11-/m1/s1
InChIKeyZQJZLRZZCQPROJ-LDYMZIIASA-N
MW247.30 g/mol
LogP0.58
Rot. Bonds2

About (3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide

(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 128984202) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide
PubChem CID128984202
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cn1
InChIInChI=1S/C13H17N3O2/c1-8-6-16(7-11(8)12(14)17)13(18)10-4-3-9(2)15-5-10/h3-5,8,11H,6-7H2,1-2H3,(H2,14,17)/t8-,11-/m1/s1
InChIKeyZQJZLRZZCQPROJ-LDYMZIIASA-N
XLogP0.58
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63721715
(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
CID 128984135
(3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 63753826
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 155260403
(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983967
(2R)-4-(6-methylpyridine-3-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125008665
1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722081
(3S,4S)-1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085428
(3S,4S)-1-(3-bromo-4-chlorobenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984101
(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
CID 128984238
(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983948

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide (CID 128984202) is (3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide is Cc1ccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cn1.
What is the InChIKey of (3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is ZQJZLRZZCQPROJ-LDYMZIIASA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-6-16(7-11(8)12(14)17)13(18)10-4-3-9(2)15-5-10/h3-5,8,11H,6-7H2,1-2H3,(H2,14,17)/t8-,11-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 128984202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).