2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C22H27N5O2 — CID 126644043

About 2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 126644043) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
• PubChem CID: 126644043
• Molecular Formula: C22H27N5O2
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.22
• IUPAC Name: 2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
• SMILES: Cc1ccc(COCC(C)NC(=O)c2cc(-c3cnn(C)c3)cnc2N)cc1C
• InChI: InChI=1S/C22H27N5O2/c1-14-5-6-17(7-15(14)2)13-29-12-16(3)26-22(28)20-8-18(9-24-21(20)23)19-10-25-27(4)11-19/h5-11,16H,12-13H2,1-4H3,(H2,23,24)(H,26,28)
• InChIKey: SSPAZMJKCTUONY-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The IUPAC name of 2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 126644043) is 2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The canonical SMILES for 2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cc1ccc(COCC(C)NC(=O)c2cc(-c3cnn(C)c3)cnc2N)cc1C.

What is the InChIKey of 2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The InChIKey is SSPAZMJKCTUONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14-5-6-17(7-15(14)2)13-29-12-16(3)26-22(28)20-8-18(9-24-21(20)23)19-10-25-27(4)11-19/h5-11,16H,12-13H2,1-4H3,(H2,23,24)(H,26,28).

What are the key properties of 2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 126644043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).