2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C28H28N6O2 — CID 142326268

IUPAC2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4cnn(C)c4)cnc3N)C2)ccc1-c1ccccc1
InChIInChI=1S/C28H28N6O2/c1-18-12-20(8-9-24(18)19-6-4-3-5-7-19)28(36)34-11-10-23(17-34)32-27(35)25-13-21(14-30-26(25)29)22-15-31-33(2)16-22/h3-9,12-16,23H,10-11,17H2,1-2H3,(H2,29,30)(H,32,35)/t23-/m1/s1
InChIKeyFJEBHJXXDUQLGM-HSZRJFAPSA-N
MW480.57 g/mol
LogP3.68
Rot. Bonds5

About 2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 142326268) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID142326268
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4cnn(C)c4)cnc3N)C2)ccc1-c1ccccc1
InChIInChI=1S/C28H28N6O2/c1-18-12-20(8-9-24(18)19-6-4-3-5-7-19)28(36)34-11-10-23(17-34)32-27(35)25-13-21(14-30-26(25)29)22-15-31-33(2)16-22/h3-9,12-16,23H,10-11,17H2,1-2H3,(H2,29,30)(H,32,35)/t23-/m1/s1
InChIKeyFJEBHJXXDUQLGM-HSZRJFAPSA-N
XLogP3.68
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide 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 2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 142326268) is 2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4cnn(C)c4)cnc3N)C2)ccc1-c1ccccc1.
What is the InChIKey of 2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is FJEBHJXXDUQLGM-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-18-12-20(8-9-24(18)19-6-4-3-5-7-19)28(36)34-11-10-23(17-34)32-27(35)25-13-21(14-30-26(25)29)22-15-31-33(2)16-22/h3-9,12-16,23H,10-11,17H2,1-2H3,(H2,29,30)(H,32,35)/t23-/m1/s1.
What are the key properties of 2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 142326268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).