N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide

C21H27N3O — CID 98785915

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

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 98785915) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
• PubChem CID: 98785915
• Molecular Formula: C21H27N3O
• Molecular Weight: 337.47 g/mol
• Exact Mass: 337.22
• IUPAC Name: N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
• SMILES: Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1-c1cccnc1
• InChI: InChI=1S/C21H27N3O/c1-13-9-20(15(3)24(13)18-5-4-8-22-12-18)21(25)23-14(2)19-11-16-6-7-17(19)10-16/h4-5,8-9,12,14,16-17,19H,6-7,10-11H2,1-3H3,(H,23,25)/t14-,16+,17+,19-/m1/s1
• InChIKey: DTKGIZRBYWMKMO-QSOKESPWSA-N
• XLogP: 4.04
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.47
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?

The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide (CID 98785915) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide.

What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?

The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide is Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1-c1cccnc1.

What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?

The InChIKey is DTKGIZRBYWMKMO-QSOKESPWSA-N. The full InChI is InChI=1S/C21H27N3O/c1-13-9-20(15(3)24(13)18-5-4-8-22-12-18)21(25)23-14(2)19-11-16-6-7-17(19)10-16/h4-5,8-9,12,14,16-17,19H,6-7,10-11H2,1-3H3,(H,23,25)/t14-,16+,17+,19-/m1/s1.

What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 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]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 98785915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).