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

C18H18N2O — CID 97051894

IUPACN-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@H]1C[C@]12CCc1ccccc12)c1cccnc1
InChIInChI=1S/C18H18N2O/c21-17(14-5-3-9-19-11-14)20-12-15-10-18(15)8-7-13-4-1-2-6-16(13)18/h1-6,9,11,15H,7-8,10,12H2,(H,20,21)/t15-,18-/m1/s1
InChIKeyVKCBDQJFOFEVAD-CRAIPNDOSA-N
MW278.36 g/mol
LogP2.72
Rot. Bonds3

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

N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide (PubChem CID 97051894) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
PubChem CID97051894
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@H]1C[C@]12CCc1ccccc12)c1cccnc1
InChIInChI=1S/C18H18N2O/c21-17(14-5-3-9-19-11-14)20-12-15-10-18(15)8-7-13-4-1-2-6-16(13)18/h1-6,9,11,15H,7-8,10,12H2,(H,20,21)/t15-,18-/m1/s1
InChIKeyVKCBDQJFOFEVAD-CRAIPNDOSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-imidazol-1-yl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
CID 97053267
N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97051911
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-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 97055666
2-(1H-pyrazol-5-yl)-N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide
CID 97222942
3-methyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]furan-2-carboxamide
CID 97051941
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
2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide
CID 97051872
1-(2-hydroxyethyl)-1-propyl-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97055271
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97051053
N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97051055
N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 110732294

Frequently Asked Questions

What is the IUPAC name of N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide (CID 97051894) is N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@H]1C[C@]12CCc1ccccc12)c1cccnc1.
What is the InChIKey of N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide?
The InChIKey is VKCBDQJFOFEVAD-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H18N2O/c21-17(14-5-3-9-19-11-14)20-12-15-10-18(15)8-7-13-4-1-2-6-16(13)18/h1-6,9,11,15H,7-8,10,12H2,(H,20,21)/t15-,18-/m1/s1.
What are the key properties of N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide?
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 97051894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).