N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide

C18H17N5O2 — CID 84594593

IUPACN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2ccnc(-n3ccnc3)c2)nc1C
InChIInChI=1S/C18H17N5O2/c1-12-16(13(2)24)4-3-15(22-12)10-21-18(25)14-5-6-20-17(9-14)23-8-7-19-11-23/h3-9,11H,10H2,1-2H3,(H,21,25)
InChIKeyGGEQBDUCPSYLQZ-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.10
Rot. Bonds5

About N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide

N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 84594593) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID84594593
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2ccnc(-n3ccnc3)c2)nc1C
InChIInChI=1S/C18H17N5O2/c1-12-16(13(2)24)4-3-15(22-12)10-21-18(25)14-5-6-20-17(9-14)23-8-7-19-11-23/h3-9,11H,10H2,1-2H3,(H,21,25)
InChIKeyGGEQBDUCPSYLQZ-UHFFFAOYSA-N
XLogP2.10
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 51085922
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47068369
N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090160
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109380562
2-imidazol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 51085895
2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51085856
N-[[2-(difluoromethoxy)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010883
2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 87011058
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090584
2-imidazol-1-yl-N-(5-methyl-1H-imidazol-2-yl)pyridine-4-carboxamide
CID 75430489
2-imidazol-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 75479337

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide (CID 84594593) is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide is CC(=O)c1ccc(CNC(=O)c2ccnc(-n3ccnc3)c2)nc1C.
What is the InChIKey of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is GGEQBDUCPSYLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-16(13(2)24)4-3-15(22-12)10-21-18(25)14-5-6-20-17(9-14)23-8-7-19-11-23/h3-9,11H,10H2,1-2H3,(H,21,25).
What are the key properties of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide?
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 84594593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).