6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C16H22N6O — CID 95230665

About 6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 95230665) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 95230665
• Molecular Formula: C16H22N6O
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.19
• IUPAC Name: 6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• SMILES: Cn1ccnc1CN1CC[C@H](CNC(=O)c2ccc(N)nc2)C1
• InChI: InChI=1S/C16H22N6O/c1-21-7-5-18-15(21)11-22-6-4-12(10-22)8-20-16(23)13-2-3-14(17)19-9-13/h2-3,5,7,9,12H,4,6,8,10-11H2,1H3,(H2,17,19)(H,20,23)/t12-/m1/s1
• InChIKey: HHIMGXDBCWELJG-GFCCVEGCSA-N
• XLogP: 0.65
• TPSA: 89.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.39
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The IUPAC name of 6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 95230665) is 6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is Cn1ccnc1CN1CC[C@H](CNC(=O)c2ccc(N)nc2)C1.

What is the InChIKey of 6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The InChIKey is HHIMGXDBCWELJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6O/c1-21-7-5-18-15(21)11-22-6-4-12(10-22)8-20-16(23)13-2-3-14(17)19-9-13/h2-3,5,7,9,12H,4,6,8,10-11H2,1H3,(H2,17,19)(H,20,23)/t12-/m1/s1.

What are the key properties of 6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95230665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).