3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide

C22H24ClN5O2 — CID 138995867

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 138995867) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
• PubChem CID: 138995867
• Molecular Formula: C22H24ClN5O2
• Molecular Weight: 425.92 g/mol
• Exact Mass: 425.16
• IUPAC Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
• SMILES: COc1cccc(N2CCC(NC(=O)c3nc(-n4nc(C)cc4C)ccc3Cl)C2)c1
• InChI: InChI=1S/C22H24ClN5O2/c1-14-11-15(2)28(26-14)20-8-7-19(23)21(25-20)22(29)24-16-9-10-27(13-16)17-5-4-6-18(12-17)30-3/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,24,29)
• InChIKey: OGXPZVGPVZHIPH-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.92
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?

The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide (CID 138995867) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?

The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide is COc1cccc(N2CCC(NC(=O)c3nc(-n4nc(C)cc4C)ccc3Cl)C2)c1.

What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?

The InChIKey is OGXPZVGPVZHIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-14-11-15(2)28(26-14)20-8-7-19(23)21(25-20)22(29)24-16-9-10-27(13-16)17-5-4-6-18(12-17)30-3/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,24,29).

What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 138995867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).