(3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide

C14H20N4O2 — CID 126840472

IUPAC(3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
SMILESCNc1nc(C)ccc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1
InChIInChI=1S/C14H20N4O2/c1-8-6-18(7-11(8)12(15)19)14(20)10-5-4-9(2)17-13(10)16-3/h4-5,8,11H,6-7H2,1-3H3,(H2,15,19)(H,16,17)/t8-,11-/m1/s1
InChIKeyCZBDQUCWHXBSBV-LDYMZIIASA-N
MW276.34 g/mol
LogP0.63
Rot. Bonds3

About (3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide

(3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 126840472) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
PubChem CID126840472
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
SMILESCNc1nc(C)ccc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1
InChIInChI=1S/C14H20N4O2/c1-8-6-18(7-11(8)12(15)19)14(20)10-5-4-9(2)17-13(10)16-3/h4-5,8,11H,6-7H2,1-3H3,(H2,15,19)(H,16,17)/t8-,11-/m1/s1
InChIKeyCZBDQUCWHXBSBV-LDYMZIIASA-N
XLogP0.63
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide (CID 126840472) is (3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide is CNc1nc(C)ccc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1.
What is the InChIKey of (3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is CZBDQUCWHXBSBV-LDYMZIIASA-N. The full InChI is InChI=1S/C14H20N4O2/c1-8-6-18(7-11(8)12(15)19)14(20)10-5-4-9(2)17-13(10)16-3/h4-5,8,11H,6-7H2,1-3H3,(H2,15,19)(H,16,17)/t8-,11-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 126840472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).