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

C20H22N4O — CID 11921659

IUPACN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(Cc2cccnc2)C[C@@H]2C[C@@H]3C=C[C@H]2C3)cn1
InChIInChI=1S/C20H22N4O/c1-14-9-23-19(11-22-14)20(25)24(12-16-3-2-6-21-10-16)13-18-8-15-4-5-17(18)7-15/h2-6,9-11,15,17-18H,7-8,12-13H2,1H3/t15-,17+,18+/m1/s1
InChIKeySJXVXRSOOINARO-NJAFHUGGSA-N
MW334.42 g/mol
LogP3.03
Rot. Bonds5

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

N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (PubChem CID 11921659) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
PubChem CID11921659
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(Cc2cccnc2)C[C@@H]2C[C@@H]3C=C[C@H]2C3)cn1
InChIInChI=1S/C20H22N4O/c1-14-9-23-19(11-22-14)20(25)24(12-16-3-2-6-21-10-16)13-18-8-15-4-5-17(18)7-15/h2-6,9-11,15,17-18H,7-8,12-13H2,1H3/t15-,17+,18+/m1/s1
InChIKeySJXVXRSOOINARO-NJAFHUGGSA-N
XLogP3.03
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide
CID 11921666
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
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 46989447
(1R,2S,4S)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98288464
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
CID 78781899
(1S,2S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 164641594
N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7230966
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 11922788
5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7306735
5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685289

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (CID 11921659) is N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is Cc1cnc(C(=O)N(Cc2cccnc2)C[C@@H]2C[C@@H]3C=C[C@H]2C3)cn1.
What is the InChIKey of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is SJXVXRSOOINARO-NJAFHUGGSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-9-23-19(11-22-14)20(25)24(12-16-3-2-6-21-10-16)13-18-8-15-4-5-17(18)7-15/h2-6,9-11,15,17-18H,7-8,12-13H2,1H3/t15-,17+,18+/m1/s1.
What are the key properties of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 11921659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).