N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H18N4O2 — CID 97083335

IUPACN-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc2nncn2c1
InChIInChI=1S/C19H18N4O2/c24-18(13-6-7-17-22-20-12-23(17)11-13)21-15-10-19(8-3-9-19)25-16-5-2-1-4-14(15)16/h1-2,4-7,11-12,15H,3,8-10H2,(H,21,24)/t15-/m1/s1
InChIKeyKKXJXGJZLYHHLP-OAHLLOKOSA-N
MW334.38 g/mol
LogP2.91
Rot. Bonds2

About N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97083335) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID97083335
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc2nncn2c1
InChIInChI=1S/C19H18N4O2/c24-18(13-6-7-17-22-20-12-23(17)11-13)21-15-10-19(8-3-9-19)25-16-5-2-1-4-14(15)16/h1-2,4-7,11-12,15H,3,8-10H2,(H,21,24)/t15-/m1/s1
InChIKeyKKXJXGJZLYHHLP-OAHLLOKOSA-N
XLogP2.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
CID 100628157
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 127499899
N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136580054
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride
CID 119815673
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea
CID 124621687
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
2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide
CID 99996343
(2R)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]oxolane-2-carboxamide
CID 51494028
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 120502115

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97083335) is N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc2nncn2c1.
What is the InChIKey of N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is KKXJXGJZLYHHLP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(13-6-7-17-22-20-12-23(17)11-13)21-15-10-19(8-3-9-19)25-16-5-2-1-4-14(15)16/h1-2,4-7,11-12,15H,3,8-10H2,(H,21,24)/t15-/m1/s1.
What are the key properties of N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97083335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).