N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide

C19H28N2O — CID 98764462

IUPACN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1
InChIInChI=1S/C19H28N2O/c1-11-8-18(13(3)21(11)16-6-7-16)19(22)20-12(2)17-10-14-4-5-15(17)9-14/h8,12,14-17H,4-7,9-10H2,1-3H3,(H,20,22)/t12-,14+,15+,17-/m1/s1
InChIKeyOGEMETWMVAMJBN-VWNJHIHFSA-N
MW300.45 g/mol
LogP3.99
Rot. Bonds4

About N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 98764462) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID98764462
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1
InChIInChI=1S/C19H28N2O/c1-11-8-18(13(3)21(11)16-6-7-16)19(22)20-12(2)17-10-14-4-5-15(17)9-14/h8,12,14-17H,4-7,9-10H2,1-3H3,(H,20,22)/t12-,14+,15+,17-/m1/s1
InChIKeyOGEMETWMVAMJBN-VWNJHIHFSA-N
XLogP3.99
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279628
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 98219920
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 98785915
5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120616369
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-5-fluorobenzamide
CID 24699631
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 98331279
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 81225387
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 98078761
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
CID 98288356
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103940037
5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide
CID 61093321

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide (CID 98764462) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1.
What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is OGEMETWMVAMJBN-VWNJHIHFSA-N. The full InChI is InChI=1S/C19H28N2O/c1-11-8-18(13(3)21(11)16-6-7-16)19(22)20-12(2)17-10-14-4-5-15(17)9-14/h8,12,14-17H,4-7,9-10H2,1-3H3,(H,20,22)/t12-,14+,15+,17-/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide?
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 98764462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).