N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide

C20H24N4O — CID 98163864

IUPACN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C20H24N4O/c1-14(2)24(12-18-10-15-3-4-16(18)9-15)20(25)17-5-6-19(22-11-17)23-8-7-21-13-23/h3-8,11,13-16,18H,9-10,12H2,1-2H3/t15-,16-,18+/m0/s1
InChIKeyMSFVYBJAOUGRRJ-XYJFISCASA-N
MW336.44 g/mol
LogP3.33
Rot. Bonds5

About N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide

N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 98163864) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID98163864
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C20H24N4O/c1-14(2)24(12-18-10-15-3-4-16(18)9-15)20(25)17-5-6-19(22-11-17)23-8-7-21-13-23/h3-8,11,13-16,18H,9-10,12H2,1-2H3/t15-,16-,18+/m0/s1
InChIKeyMSFVYBJAOUGRRJ-XYJFISCASA-N
XLogP3.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

N-(2,2-dimethylpropyl)-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide
CID 23588390
N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride
CID 119584534
6-imidazol-1-yl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119825756
N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine
CID 142231842
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 61006797
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
6-imidazol-1-yl-N-methyl-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 99823272
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 31985384
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 47021778
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide (CID 98163864) is N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is MSFVYBJAOUGRRJ-XYJFISCASA-N. The full InChI is InChI=1S/C20H24N4O/c1-14(2)24(12-18-10-15-3-4-16(18)9-15)20(25)17-5-6-19(22-11-17)23-8-7-21-13-23/h3-8,11,13-16,18H,9-10,12H2,1-2H3/t15-,16-,18+/m0/s1.
What are the key properties of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide?
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 98163864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).