N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

C17H25N5O2 — CID 56856974

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56856974) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 56856974
• Molecular Formula: C17H25N5O2
• Molecular Weight: 331.42 g/mol
• Exact Mass: 331.20
• IUPAC Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
• SMILES: Cc1n[nH]c(C)c1CNC(=O)c1ccc(CN(C)C(C)C)[nH]c1=O
• InChI: InChI=1S/C17H25N5O2/c1-10(2)22(5)9-13-6-7-14(17(24)19-13)16(23)18-8-15-11(3)20-21-12(15)4/h6-7,10H,8-9H2,1-5H3,(H,18,23)(H,19,24)(H,20,21)
• InChIKey: UOVIGAXHIQOILC-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 93.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.42
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56856974) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1n[nH]c(C)c1CNC(=O)c1ccc(CN(C)C(C)C)[nH]c1=O.

What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is UOVIGAXHIQOILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10(2)22(5)9-13-6-7-14(17(24)19-13)16(23)18-8-15-11(3)20-21-12(15)4/h6-7,10H,8-9H2,1-5H3,(H,18,23)(H,19,24)(H,20,21).

What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56856974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).