N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide

C24H23N3O — CID 11921666

IUPACN-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide
SMILESO=C(c1nccc2ccccc12)N(Cc1cccnc1)C[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C24H23N3O/c28-24(23-22-6-2-1-5-19(22)9-11-26-23)27(15-18-4-3-10-25-14-18)16-21-13-17-7-8-20(21)12-17/h1-11,14,17,20-21H,12-13,15-16H2/t17-,20+,21-/m1/s1
InChIKeyQCPKNBBGQUIWDD-JRGCBEDISA-N
MW369.47 g/mol
LogP4.48
Rot. Bonds5

About N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide (PubChem CID 11921666) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide
PubChem CID11921666
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide
SMILESO=C(c1nccc2ccccc12)N(Cc1cccnc1)C[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C24H23N3O/c28-24(23-22-6-2-1-5-19(22)9-11-26-23)27(15-18-4-3-10-25-14-18)16-21-13-17-7-8-20(21)12-17/h1-11,14,17,20-21H,12-13,15-16H2/t17-,20+,21-/m1/s1
InChIKeyQCPKNBBGQUIWDD-JRGCBEDISA-N
XLogP4.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 11921659
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 18557460
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide
CID 18557463
2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11921808
(1R,2S,4S)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98288464
(1S,2S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 164641594
ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate
CID 42791890
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)isoquinoline-1-carboxamide
CID 107482402
2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 5128594
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
CID 98119288
5-propyl-N,N-bis(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 75257558
2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 71876328

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide?
The IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide (CID 11921666) is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide?
The canonical SMILES for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide is O=C(c1nccc2ccccc12)N(Cc1cccnc1)C[C@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide?
The InChIKey is QCPKNBBGQUIWDD-JRGCBEDISA-N. The full InChI is InChI=1S/C24H23N3O/c28-24(23-22-6-2-1-5-19(22)9-11-26-23)27(15-18-4-3-10-25-14-18)16-21-13-17-7-8-20(21)12-17/h1-11,14,17,20-21H,12-13,15-16H2/t17-,20+,21-/m1/s1.
What are the key properties of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide?
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 11921666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).