N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide

C17H19N7O — CID 122291040

IUPACN-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide
SMILESCc1nc(NCCNC(=O)c2ccccn2)cc(-n2ccnc2C)n1
InChIInChI=1S/C17H19N7O/c1-12-22-15(11-16(23-12)24-10-9-18-13(24)2)20-7-8-21-17(25)14-5-3-4-6-19-14/h3-6,9-11H,7-8H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyGSNZLRRMJGMLQG-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.52
Rot. Bonds6

About N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide

N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide (PubChem CID 122291040) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide
PubChem CID122291040
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide
SMILESCc1nc(NCCNC(=O)c2ccccn2)cc(-n2ccnc2C)n1
InChIInChI=1S/C17H19N7O/c1-12-22-15(11-16(23-12)24-10-9-18-13(24)2)20-7-8-21-17(25)14-5-3-4-6-19-14/h3-6,9-11H,7-8H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyGSNZLRRMJGMLQG-UHFFFAOYSA-N
XLogP1.52
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]naphthalene-2-carboxamide
CID 121074510
2-bromo-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 121074535
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-diphenylacetamide
CID 121074531
3-fluoro-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 56699295
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyridine-2-carboxamide
CID 122294062
2-(2-fluorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122291093
2-(4-fluorophenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 121074532
3,4,5-trimethoxy-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 121074502
4-methyl-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]thiadiazole-5-carboxamide
CID 121074529
2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 121074526
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclobutanecarboxamide
CID 122291117
1-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-thiophen-2-ylurea
CID 122291292

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide (CID 122291040) is N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide is Cc1nc(NCCNC(=O)c2ccccn2)cc(-n2ccnc2C)n1.
What is the InChIKey of N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide?
The InChIKey is GSNZLRRMJGMLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-12-22-15(11-16(23-12)24-10-9-18-13(24)2)20-7-8-21-17(25)14-5-3-4-6-19-14/h3-6,9-11H,7-8H2,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide?
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 122291040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).