3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide

C13H20N4O — CID 64517297

IUPAC3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C13H20N4O/c1-17(7-10-15-4-5-16-10)13(18)11-8-2-3-9(6-8)12(11)14/h4-5,8-9,11-12H,2-3,6-7,14H2,1H3,(H,15,16)
InChIKeyDKXIUIXDOCWTOV-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.74
Rot. Bonds3

About 3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 64517297) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID64517297
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C13H20N4O/c1-17(7-10-15-4-5-16-10)13(18)11-8-2-3-9(6-8)12(11)14/h4-5,8-9,11-12H,2-3,6-7,14H2,1H3,(H,15,16)
InChIKeyDKXIUIXDOCWTOV-UHFFFAOYSA-N
XLogP0.74
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 63929945
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
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N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
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CID 103873085
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
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cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64517474
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 64517297) is 3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is DKXIUIXDOCWTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17(7-10-15-4-5-16-10)13(18)11-8-2-3-9(6-8)12(11)14/h4-5,8-9,11-12H,2-3,6-7,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 64517297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).