N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide

C25H24ClN5O2 — CID 118665190

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide (PubChem CID 118665190) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
• PubChem CID: 118665190
• Molecular Formula: C25H24ClN5O2
• Molecular Weight: 461.95 g/mol
• Exact Mass: 461.16
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1
• InChI: InChI=1S/C25H24ClN5O2/c1-14-5-23(27)31-15(2)22(14)12-30-25(33)17-3-4-28-21(10-17)8-16-6-18-9-20(26)11-29-24(18)19(7-16)13-32/h3-7,9-11,32H,8,12-13H2,1-2H3,(H2,27,31)(H,30,33)
• InChIKey: CDDJVGAEPTXXCL-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 114.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.95
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide (CID 118665190) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide?

The InChIKey is CDDJVGAEPTXXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-14-5-23(27)31-15(2)22(14)12-30-25(33)17-3-4-28-21(10-17)8-16-6-18-9-20(26)11-29-24(18)19(7-16)13-32/h3-7,9-11,32H,8,12-13H2,1-2H3,(H2,27,31)(H,30,33).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).