(3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C23H25N5O4 — CID 97044608

About (3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

(3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 97044608) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is (3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
• PubChem CID: 97044608
• Molecular Formula: C23H25N5O4
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: (3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
• SMILES: COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)cc1OC
• InChI: InChI=1S/C23H25N5O4/c1-31-20-6-5-17(12-21(20)32-2)25-22(29)16-4-3-11-28(14-16)23(30)19-13-18(26-27-19)15-7-9-24-10-8-15/h5-10,12-13,16H,3-4,11,14H2,1-2H3,(H,25,29)(H,26,27)/t16-/m1/s1
• InChIKey: LRRXKMFBGRKFTL-MRXNPFEDSA-N
• XLogP: 2.98
• TPSA: 109.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 97044608) is (3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)cc1OC.

What is the InChIKey of (3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?

The InChIKey is LRRXKMFBGRKFTL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-31-20-6-5-17(12-21(20)32-2)25-22(29)16-4-3-11-28(14-16)23(30)19-13-18(26-27-19)15-7-9-24-10-8-15/h5-10,12-13,16H,3-4,11,14H2,1-2H3,(H,25,29)(H,26,27)/t16-/m1/s1.

What are the key properties of (3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?

(3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 97044608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).