5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C19H25N3O2 — CID 175282985

IUPAC5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCOc1cc2cc(C(=O)N[C@H]3C4C[C@@H]([C@@H]3C)C(C)(C)C4)[nH]c2cn1
InChIInChI=1S/C19H25N3O2/c1-10-13-5-12(8-19(13,2)3)17(10)22-18(23)14-6-11-7-16(24-4)20-9-15(11)21-14/h6-7,9-10,12-13,17,21H,5,8H2,1-4H3,(H,22,23)/t10-,12?,13-,17+/m0/s1
InChIKeyPPUXKZZQJLGYNL-BZPNRBOKSA-N
MW327.43 g/mol
LogP3.37
Rot. Bonds3

About 5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 175282985) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID175282985
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCOc1cc2cc(C(=O)N[C@H]3C4C[C@@H]([C@@H]3C)C(C)(C)C4)[nH]c2cn1
InChIInChI=1S/C19H25N3O2/c1-10-13-5-12(8-19(13,2)3)17(10)22-18(23)14-6-11-7-16(24-4)20-9-15(11)21-14/h6-7,9-10,12-13,17,21H,5,8H2,1-4H3,(H,22,23)/t10-,12?,13-,17+/m0/s1
InChIKeyPPUXKZZQJLGYNL-BZPNRBOKSA-N
XLogP3.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

4-chloro-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 175283473
5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 175877635
5-methoxy-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 57344659
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanone
CID 46909814
ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine
CID 170611768
1-(6-methoxy-1H-pyrrolo[3,2-c]pyridin-2-yl)propan-1-one
CID 149419934
5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide
CID 11782370
methyl 2-[7-chloro-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetate
CID 57431481
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide
CID 122650312
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 11404727
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide
CID 11897305

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 175282985) is 5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is COc1cc2cc(C(=O)N[C@H]3C4C[C@@H]([C@@H]3C)C(C)(C)C4)[nH]c2cn1.
What is the InChIKey of 5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is PPUXKZZQJLGYNL-BZPNRBOKSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-10-13-5-12(8-19(13,2)3)17(10)22-18(23)14-6-11-7-16(24-4)20-9-15(11)21-14/h6-7,9-10,12-13,17,21H,5,8H2,1-4H3,(H,22,23)/t10-,12?,13-,17+/m0/s1.
What are the key properties of 5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 175282985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).