N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide

C25H25N5O2 — CID 56836330

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C25H25N5O2/c1-17-12-24(26)29-18(2)22(17)13-27-25(31)23-15-30(16-28-23)14-19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h3-12,15-16H,13-14H2,1-2H3,(H2,26,29)(H,27,31)
InChIKeyGTRZDWXIXSFZSJ-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.25
Rot. Bonds7

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide (PubChem CID 56836330) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide
PubChem CID56836330
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C25H25N5O2/c1-17-12-24(26)29-18(2)22(17)13-27-25(31)23-15-30(16-28-23)14-19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h3-12,15-16H,13-14H2,1-2H3,(H2,26,29)(H,27,31)
InChIKeyGTRZDWXIXSFZSJ-UHFFFAOYSA-N
XLogP4.25
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}ethyl)pyrimidine-5-carboxamide
CID 16108894
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N1-((4-methoxyphenyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine (1:1)
CID 162821
8-[(4-Methoxyphenyl)methylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CID 662644
7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234745
1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]imidazole-4-carboxamide
CID 118557162
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 16115231
8-Cyclohexylamino-1,3-diethyl-7-(3-fluoro-4-methoxy-benzyl)-3,7-dihydro-purine-2,6-dione
CID 44336847
N-(((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazin-2-yl)methyl)acetamide
CID 44562307
1-(((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazin-2-yl)methyl)-3-methylurea
CID 44562309
(2R)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-N-isopropyl-4-(quinolin-3-yl)piperazine-2-carboxamide
CID 44562310

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide (CID 56836330) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Oc3ccccc3)cc2)cn1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide?
The InChIKey is GTRZDWXIXSFZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17-12-24(26)29-18(2)22(17)13-27-25(31)23-15-30(16-28-23)14-19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h3-12,15-16H,13-14H2,1-2H3,(H2,26,29)(H,27,31).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 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]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 56836330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).