6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide

C21H20N4O — CID 97053267

IUPAC6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1C[C@]12CCc1ccccc12)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C21H20N4O/c26-20(16-5-6-19(23-12-16)25-10-9-22-14-25)24-13-17-11-21(17)8-7-15-3-1-2-4-18(15)21/h1-6,9-10,12,14,17H,7-8,11,13H2,(H,24,26)/t17-,21+/m0/s1
InChIKeyLZALCCKXJNJMHR-LAUBAEHRSA-N
MW344.42 g/mol
LogP2.90
Rot. Bonds4

About 6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide

6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide (PubChem CID 97053267) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
PubChem CID97053267
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1C[C@]12CCc1ccccc12)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C21H20N4O/c26-20(16-5-6-19(23-12-16)25-10-9-22-14-25)24-13-17-11-21(17)8-7-15-3-1-2-4-18(15)21/h1-6,9-10,12,14,17H,7-8,11,13H2,(H,24,26)/t17-,21+/m0/s1
InChIKeyLZALCCKXJNJMHR-LAUBAEHRSA-N
XLogP2.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
CID 97051894
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)furan-3-carboxamide
CID 71972459
N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97083549
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-[(3-hydroxycyclopentyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 103279750
N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 111428654
7-methyl-N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 97073175
3-methyl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97051922
6-imidazol-1-yl-N-methyl-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 99823272
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 104862732

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide (CID 97053267) is 6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@@H]1C[C@]12CCc1ccccc12)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of 6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide?
The InChIKey is LZALCCKXJNJMHR-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H20N4O/c26-20(16-5-6-19(23-12-16)25-10-9-22-14-25)24-13-17-11-21(17)8-7-15-3-1-2-4-18(15)21/h1-6,9-10,12,14,17H,7-8,11,13H2,(H,24,26)/t17-,21+/m0/s1.
What are the key properties of 6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide?
6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 97053267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).