3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide

C13H17N5O — CID 114718794

IUPAC3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1cncc1-c1ccnc(N)c1
InChIInChI=1S/C13H17N5O/c1-17(2)13(19)4-6-18-9-15-8-11(18)10-3-5-16-12(14)7-10/h3,5,7-9H,4,6H2,1-2H3,(H2,14,16)
InChIKeyWORSMFVXYVMKKO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.01
Rot. Bonds4

About 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide

3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide (PubChem CID 114718794) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide
PubChem CID114718794
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1cncc1-c1ccnc(N)c1
InChIInChI=1S/C13H17N5O/c1-17(2)13(19)4-6-18-9-15-8-11(18)10-3-5-16-12(14)7-10/h3,5,7-9H,4,6H2,1-2H3,(H2,14,16)
InChIKeyWORSMFVXYVMKKO-UHFFFAOYSA-N
XLogP1.01
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114719027
4-(3-pentylimidazol-4-yl)pyridin-2-amine
CID 114716246
4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine
CID 106194333
4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine
CID 114722232
4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol
CID 114722613
4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114715991
4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114719950
2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N-cyclopropylacetamide
CID 114718057
4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114721670
4-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 106040949
ethyl 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114718853
4-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720279

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide (CID 114718794) is 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCn1cncc1-c1ccnc(N)c1.
What is the InChIKey of 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is WORSMFVXYVMKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17(2)13(19)4-6-18-9-15-8-11(18)10-3-5-16-12(14)7-10/h3,5,7-9H,4,6H2,1-2H3,(H2,14,16).
What are the key properties of 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide?
3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 259.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 114718794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).