6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C20H26N4O — CID 95230990

About 6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 95230990) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 95230990
• Molecular Formula: C20H26N4O
• Molecular Weight: 338.46 g/mol
• Exact Mass: 338.21
• IUPAC Name: 6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• SMILES: Cc1ccc(CN2CC[C@@H](CNC(=O)c3ccc(N)nc3)C2)cc1C
• InChI: InChI=1S/C20H26N4O/c1-14-3-4-16(9-15(14)2)12-24-8-7-17(13-24)10-23-20(25)18-5-6-19(21)22-11-18/h3-6,9,11,17H,7-8,10,12-13H2,1-2H3,(H2,21,22)(H,23,25)/t17-/m0/s1
• InChIKey: UJJBGJICOBHFPP-KRWDZBQOSA-N
• XLogP: 2.53
• TPSA: 71.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.46
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The IUPAC name of 6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 95230990) is 6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is Cc1ccc(CN2CC[C@@H](CNC(=O)c3ccc(N)nc3)C2)cc1C.

What is the InChIKey of 6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The InChIKey is UJJBGJICOBHFPP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-3-4-16(9-15(14)2)12-24-8-7-17(13-24)10-23-20(25)18-5-6-19(21)22-11-18/h3-6,9,11,17H,7-8,10,12-13H2,1-2H3,(H2,21,22)(H,23,25)/t17-/m0/s1.

What are the key properties of 6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95230990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).