4-(3-pentylimidazol-4-yl)pyridin-2-amine

C13H18N4 — CID 114716246

IUPAC4-(3-pentylimidazol-4-yl)pyridin-2-amine
SMILESCCCCCn1cncc1-c1ccnc(N)c1
InChIInChI=1S/C13H18N4/c1-2-3-4-7-17-10-15-9-12(17)11-5-6-16-13(14)8-11/h5-6,8-10H,2-4,7H2,1H3,(H2,14,16)
InChIKeyVFWDKDOYERBXDW-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.72
Rot. Bonds5

About 4-(3-pentylimidazol-4-yl)pyridin-2-amine

4-(3-pentylimidazol-4-yl)pyridin-2-amine (PubChem CID 114716246) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 4-(3-pentylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-pentylimidazol-4-yl)pyridin-2-amine
PubChem CID114716246
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name4-(3-pentylimidazol-4-yl)pyridin-2-amine
SMILESCCCCCn1cncc1-c1ccnc(N)c1
InChIInChI=1S/C13H18N4/c1-2-3-4-7-17-10-15-9-12(17)11-5-6-16-13(14)8-11/h5-6,8-10H,2-4,7H2,1H3,(H2,14,16)
InChIKeyVFWDKDOYERBXDW-UHFFFAOYSA-N
XLogP2.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114719027
5-(3-octylimidazol-4-yl)pyridin-2-amine
CID 114721585
3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide
CID 114718794
4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114719950
4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine
CID 114722232
4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine
CID 106194333
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
4-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720279
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-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720701

Frequently Asked Questions

What is the IUPAC name of 4-(3-pentylimidazol-4-yl)pyridin-2-amine?
The IUPAC name of 4-(3-pentylimidazol-4-yl)pyridin-2-amine (CID 114716246) is 4-(3-pentylimidazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-(3-pentylimidazol-4-yl)pyridin-2-amine?
The canonical SMILES for 4-(3-pentylimidazol-4-yl)pyridin-2-amine is CCCCCn1cncc1-c1ccnc(N)c1.
What is the InChIKey of 4-(3-pentylimidazol-4-yl)pyridin-2-amine?
The InChIKey is VFWDKDOYERBXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-3-4-7-17-10-15-9-12(17)11-5-6-16-13(14)8-11/h5-6,8-10H,2-4,7H2,1H3,(H2,14,16).
What are the key properties of 4-(3-pentylimidazol-4-yl)pyridin-2-amine?
4-(3-pentylimidazol-4-yl)pyridin-2-amine has a molecular weight of 230.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pentylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 114716246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).