3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine

C16H23N5 — CID 114718521

IUPAC3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
SMILESCC(C)N1CCC(Cn2cncc2-c2cccnc2N)C1
InChIInChI=1S/C16H23N5/c1-12(2)20-7-5-13(9-20)10-21-11-18-8-15(21)14-4-3-6-19-16(14)17/h3-4,6,8,11-13H,5,7,9-10H2,1-2H3,(H2,17,19)
InChIKeyRCNIGJHAOMNVIB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.26
Rot. Bonds4

About 3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine

3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 114718521) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
PubChem CID114718521
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
SMILESCC(C)N1CCC(Cn2cncc2-c2cccnc2N)C1
InChIInChI=1S/C16H23N5/c1-12(2)20-7-5-13(9-20)10-21-11-18-8-15(21)14-4-3-6-19-16(14)17/h3-4,6,8,11-13H,5,7,9-10H2,1-2H3,(H2,17,19)
InChIKeyRCNIGJHAOMNVIB-UHFFFAOYSA-N
XLogP2.26
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine (CID 114718521) is 3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine is CC(C)N1CCC(Cn2cncc2-c2cccnc2N)C1.
What is the InChIKey of 3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is RCNIGJHAOMNVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)20-7-5-13(9-20)10-21-11-18-8-15(21)14-4-3-6-19-16(14)17/h3-4,6,8,11-13H,5,7,9-10H2,1-2H3,(H2,17,19).
What are the key properties of 3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine?
3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114718521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).