About N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide (PubChem CID 146456100) has the molecular formula C30H34N6O2
and a molecular weight of 510.64 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide.
Molecular Properties
| Compound Name | N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide |
|---|
| PubChem CID | 146456100 |
|---|
| Molecular Formula | C30H34N6O2 |
|---|
| Molecular Weight | 510.64 g/mol |
|---|
| Exact Mass | 510.27 |
|---|
| IUPAC Name | N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide |
|---|
| SMILES | [H]/N=c1\n(C)ccn1C(C)Cc1cc(C(=O)NC(c2cc(C)ccn2)C2CC2)cc(-c2ccnc(OC)c2)c1 |
|---|
| InChI | InChI=1S/C30H34N6O2/c1-19-7-9-32-26(13-19)28(22-5-6-22)34-29(37)25-16-21(14-20(2)36-12-11-35(3)30(36)31)15-24(17-25)23-8-10-33-27(18-23)38-4/h7-13,15-18,20,22,28,31H,5-6,14H2,1-4H3,(H,34,37)/b31-30+ |
|---|
| InChIKey | WFLDSWZUZUBLLL-NVQSTNCTSA-N |
|---|
| XLogP | 4.76 |
|---|
| TPSA | 97.82 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 510.64 |
| LogP ≤ 5 | 4.76 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide?
The IUPAC name of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide (CID 146456100) is N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide.
What is the SMILES notation for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide?
The canonical SMILES for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide is [H]/N=c1\n(C)ccn1C(C)Cc1cc(C(=O)NC(c2cc(C)ccn2)C2CC2)cc(-c2ccnc(OC)c2)c1.
What is the InChIKey of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide?
The InChIKey is WFLDSWZUZUBLLL-NVQSTNCTSA-N. The full InChI is InChI=1S/C30H34N6O2/c1-19-7-9-32-26(13-19)28(22-5-6-22)34-29(37)25-16-21(14-20(2)36-12-11-35(3)30(36)31)15-24(17-25)23-8-10-33-27(18-23)38-4/h7-13,15-18,20,22,28,31H,5-6,14H2,1-4H3,(H,34,37)/b31-30+.
What are the key properties of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide?
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide has a molecular weight of 510.64 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[2-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide is sourced from PubChem (CID 146456100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).