N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide

C17H23N5O — CID 166481590

IUPACN-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2ccnc(-n3ccnc3)c2)C1
InChIInChI=1S/C17H23N5O/c1-17(2,3)22-8-5-14(11-22)20-16(23)13-4-6-19-15(10-13)21-9-7-18-12-21/h4,6-7,9-10,12,14H,5,8,11H2,1-3H3,(H,20,23)
InChIKeyXOZLZHNYHYSITD-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.87
Rot. Bonds3

About N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide

N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 166481590) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID166481590
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2ccnc(-n3ccnc3)c2)C1
InChIInChI=1S/C17H23N5O/c1-17(2,3)22-8-5-14(11-22)20-16(23)13-4-6-19-15(10-13)21-9-7-18-12-21/h4,6-7,9-10,12,14H,5,8,11H2,1-3H3,(H,20,23)
InChIKeyXOZLZHNYHYSITD-UHFFFAOYSA-N
XLogP1.87
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide
CID 94818852
2-imidazol-1-yl-N-(2-methylpiperidin-4-yl)pyridine-4-carboxamide;dihydrochloride
CID 120598171
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885753
N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
CID 155637447
2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide
CID 94180241
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109380562
N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 119591870
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide
CID 87045978
3,4-dihydro-1H-isoquinolin-2-yl-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 51085833
N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109478737
2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide
CID 51091899

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide (CID 166481590) is N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide is CC(C)(C)N1CCC(NC(=O)c2ccnc(-n3ccnc3)c2)C1.
What is the InChIKey of N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is XOZLZHNYHYSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(2,3)22-8-5-14(11-22)20-16(23)13-4-6-19-15(10-13)21-9-7-18-12-21/h4,6-7,9-10,12,14H,5,8,11H2,1-3H3,(H,20,23).
What are the key properties of N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 166481590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).