3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine

C16H23N5 — CID 114720176

IUPAC3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(CN1CCCC1)Cn1cncc1-c1cccnc1N
InChIInChI=1S/C16H23N5/c1-13(10-20-7-2-3-8-20)11-21-12-18-9-15(21)14-5-4-6-19-16(14)17/h4-6,9,12-13H,2-3,7-8,10-11H2,1H3,(H2,17,19)
InChIKeyJAJFYYYLRXIPPF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.26
Rot. Bonds5

About 3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine

3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114720176) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114720176
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(CN1CCCC1)Cn1cncc1-c1cccnc1N
InChIInChI=1S/C16H23N5/c1-13(10-20-7-2-3-8-20)11-21-12-18-9-15(21)14-5-4-6-19-16(14)17/h4-6,9,12-13H,2-3,7-8,10-11H2,1H3,(H2,17,19)
InChIKeyJAJFYYYLRXIPPF-UHFFFAOYSA-N
XLogP2.26
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
CID 114721527
3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine
CID 107819458
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023
3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114721864
3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114718521
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
CID 114717187
3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine
CID 114158854
3-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720067

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine (CID 114720176) is 3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine is CC(CN1CCCC1)Cn1cncc1-c1cccnc1N.
What is the InChIKey of 3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is JAJFYYYLRXIPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13(10-20-7-2-3-8-20)11-21-12-18-9-15(21)14-5-4-6-19-16(14)17/h4-6,9,12-13H,2-3,7-8,10-11H2,1H3,(H2,17,19).
What are the key properties of 3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine?
3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114720176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).