N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide

C25H26N6O — CID 177349315

IUPACN-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide
SMILESCc1[nH]c(N)nc1-c1ccc(CNC(=O)Cc2ccc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C25H26N6O/c1-17-24(31-25(26)30-17)21-10-7-19(8-11-21)15-29-23(32)13-20-9-12-22(28-16-20)27-14-18-5-3-2-4-6-18/h2-12,16H,13-15H2,1H3,(H,27,28)(H,29,32)(H3,26,30,31)
InChIKeyMJYXXENYKXXKSO-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.83
Rot. Bonds8

About N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide

N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide (PubChem CID 177349315) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide
PubChem CID177349315
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide
SMILESCc1[nH]c(N)nc1-c1ccc(CNC(=O)Cc2ccc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C25H26N6O/c1-17-24(31-25(26)30-17)21-10-7-19(8-11-21)15-29-23(32)13-20-9-12-22(28-16-20)27-14-18-5-3-2-4-6-18/h2-12,16H,13-15H2,1H3,(H,27,28)(H,29,32)(H3,26,30,31)
InChIKeyMJYXXENYKXXKSO-UHFFFAOYSA-N
XLogP3.83
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide with MolForge

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Related Compounds

N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine
CID 10334318
N-benzyl-5-ethylpyridin-2-amine
CID 53404811
N-benzyl-5-phenylpyridin-2-amine
CID 24949412
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28856761
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
N-[2-(1H-indol-3-yl)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155968
N-benzyl-2-(3-methyl-2-phenylquinolin-4-yl)acetamide
CID 139934118
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(4-ethylphenyl)phenyl]acetamide
CID 177349338
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2-phenylacetamide
CID 82331463

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide?
The IUPAC name of N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide (CID 177349315) is N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide?
The canonical SMILES for N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide is Cc1[nH]c(N)nc1-c1ccc(CNC(=O)Cc2ccc(NCc3ccccc3)nc2)cc1.
What is the InChIKey of N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide?
The InChIKey is MJYXXENYKXXKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-17-24(31-25(26)30-17)21-10-7-19(8-11-21)15-29-23(32)13-20-9-12-22(28-16-20)27-14-18-5-3-2-4-6-18/h2-12,16H,13-15H2,1H3,(H,27,28)(H,29,32)(H3,26,30,31).
What are the key properties of N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide?
N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 3.83, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]methyl]-2-[6-(benzylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 177349315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).