N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide

C23H23ClN6O2 — CID 134178435

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide (PubChem CID 134178435) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
• PubChem CID: 134178435
• Molecular Formula: C23H23ClN6O2
• Molecular Weight: 450.93 g/mol
• Exact Mass: 450.16
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1cnc(CO)n1Cc1ccc2ncc(Cl)cc2c1
• InChI: InChI=1S/C23H23ClN6O2/c1-13-5-21(25)29-14(2)18(13)9-28-23(32)20-10-27-22(12-31)30(20)11-15-3-4-19-16(6-15)7-17(24)8-26-19/h3-8,10,31H,9,11-12H2,1-2H3,(H2,25,29)(H,28,32)
• InChIKey: KYLMJUIABUHDEY-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 118.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.93
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide (CID 134178435) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnc(CO)n1Cc1ccc2ncc(Cl)cc2c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide?

The InChIKey is KYLMJUIABUHDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-13-5-21(25)29-14(2)18(13)9-28-23(32)20-10-27-22(12-31)30(20)11-15-3-4-19-16(6-15)7-17(24)8-26-19/h3-8,10,31H,9,11-12H2,1-2H3,(H2,25,29)(H,28,32).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide is sourced from PubChem (CID 134178435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).