(1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

C18H20N4O2 — CID 154736325

IUPAC(1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESO=C(NCc1nncn1C1CC1)[C@@H]1C[C@]12CCOc1ccccc12
InChIInChI=1S/C18H20N4O2/c23-17(19-10-16-21-20-11-22(16)12-5-6-12)14-9-18(14)7-8-24-15-4-2-1-3-13(15)18/h1-4,11-12,14H,5-10H2,(H,19,23)/t14-,18-/m0/s1
InChIKeyLDXLGXKFZBYLSM-KSSFIOAISA-N
MW324.38 g/mol
LogP1.97
Rot. Bonds4

About (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

(1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 154736325) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID154736325
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESO=C(NCc1nncn1C1CC1)[C@@H]1C[C@]12CCOc1ccccc12
InChIInChI=1S/C18H20N4O2/c23-17(19-10-16-21-20-11-22(16)12-5-6-12)14-9-18(14)7-8-24-15-4-2-1-3-13(15)18/h1-4,11-12,14H,5-10H2,(H,19,23)/t14-,18-/m0/s1
InChIKeyLDXLGXKFZBYLSM-KSSFIOAISA-N
XLogP1.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 120827446
(1'R,4S)-N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 124882689
(1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 127265809
(1'S,4R)-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 128968314
(2S)-3-phenyl-2-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 119366387
(1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 124885267
(3S)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97155470
ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 153078138
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-2,2,2-trifluoro-1-phenylethyl]urea
CID 99635131
(1'R,4S)-6,7-dimethyl-N-(pyridin-3-ylmethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 128970311
N-(3-methoxy-6-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 127395770
(1'S,4R)-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 99812307

Frequently Asked Questions

What is the IUPAC name of (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (CID 154736325) is (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is O=C(NCc1nncn1C1CC1)[C@@H]1C[C@]12CCOc1ccccc12.
What is the InChIKey of (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is LDXLGXKFZBYLSM-KSSFIOAISA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(19-10-16-21-20-11-22(16)12-5-6-12)14-9-18(14)7-8-24-15-4-2-1-3-13(15)18/h1-4,11-12,14H,5-10H2,(H,19,23)/t14-,18-/m0/s1.
What are the key properties of (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
(1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 154736325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).