N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide

C17H18N4O2 — CID 94816789

IUPACN-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESC[C@H](CCc1ccco1)NC(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C17H18N4O2/c1-13(4-5-15-3-2-10-23-15)20-17(22)14-6-7-19-16(11-14)21-9-8-18-12-21/h2-3,6-13H,4-5H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyLQBITEBCHTYUJF-CYBMUJFWSA-N
MW310.36 g/mol
LogP2.61
Rot. Bonds6

About N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide

N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 94816789) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID94816789
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESC[C@H](CCc1ccco1)NC(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C17H18N4O2/c1-13(4-5-15-3-2-10-23-15)20-17(22)14-6-7-19-16(11-14)21-9-8-18-12-21/h2-3,6-13H,4-5H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyLQBITEBCHTYUJF-CYBMUJFWSA-N
XLogP2.61
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091723
2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
CID 114326274
N-[furan-2-yl(phenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51091279
N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47071079
N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109478737
2-imidazol-1-yl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-4-carboxamide
CID 94821889
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 110001583
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide (CID 94816789) is N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide is C[C@H](CCc1ccco1)NC(=O)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is LQBITEBCHTYUJF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13(4-5-15-3-2-10-23-15)20-17(22)14-6-7-19-16(11-14)21-9-8-18-12-21/h2-3,6-13H,4-5H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide?
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 94816789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).