N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide

C20H22N2O2 — CID 100628157

IUPACN-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1cccnc1
InChIInChI=1S/C20H22N2O2/c23-19(15-7-6-12-21-14-15)22-17-13-20(10-4-1-5-11-20)24-18-9-3-2-8-16(17)18/h2-3,6-9,12,14,17H,1,4-5,10-11,13H2,(H,22,23)/t17-/m1/s1
InChIKeyOXYAVWWUJQZWCN-QGZVFWFLSA-N
MW322.41 g/mol
LogP4.04
Rot. Bonds2

About N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide

N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide (PubChem CID 100628157) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
PubChem CID100628157
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1cccnc1
InChIInChI=1S/C20H22N2O2/c23-19(15-7-6-12-21-14-15)22-17-13-20(10-4-1-5-11-20)24-18-9-3-2-8-16(17)18/h2-3,6-9,12,14,17H,1,4-5,10-11,13H2,(H,22,23)/t17-/m1/s1
InChIKeyOXYAVWWUJQZWCN-QGZVFWFLSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride
CID 119815673
2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide
CID 99934057
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide
CID 97401003
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 133231370
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97083335
2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide
CID 99996343
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
(2R)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]oxolane-2-carboxamide
CID 51494028
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide
CID 46958893

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide (CID 100628157) is N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1cccnc1.
What is the InChIKey of N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide?
The InChIKey is OXYAVWWUJQZWCN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(15-7-6-12-21-14-15)22-17-13-20(10-4-1-5-11-20)24-18-9-3-2-8-16(17)18/h2-3,6-9,12,14,17H,1,4-5,10-11,13H2,(H,22,23)/t17-/m1/s1.
What are the key properties of N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide?
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 100628157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).