6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine

C16H23N5 — CID 43710508

IUPAC6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1ccc(-n2ccnc2)nc1)C1CCN(C)CC1
InChIInChI=1S/C16H23N5/c1-13(14-5-8-20(2)9-6-14)19-15-3-4-16(18-11-15)21-10-7-17-12-21/h3-4,7,10-14,19H,5-6,8-9H2,1-2H3
InChIKeyIWTSBEWUYLNUIQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.41
Rot. Bonds4

About 6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine

6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine (PubChem CID 43710508) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
PubChem CID43710508
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1ccc(-n2ccnc2)nc1)C1CCN(C)CC1
InChIInChI=1S/C16H23N5/c1-13(14-5-8-20(2)9-6-14)19-15-3-4-16(18-11-15)21-10-7-17-12-21/h3-4,7,10-14,19H,5-6,8-9H2,1-2H3
InChIKeyIWTSBEWUYLNUIQ-UHFFFAOYSA-N
XLogP2.41
TPSA45.98 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine?
The IUPAC name of 6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine (CID 43710508) is 6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine is CC(Nc1ccc(-n2ccnc2)nc1)C1CCN(C)CC1.
What is the InChIKey of 6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine?
The InChIKey is IWTSBEWUYLNUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13(14-5-8-20(2)9-6-14)19-15-3-4-16(18-11-15)21-10-7-17-12-21/h3-4,7,10-14,19H,5-6,8-9H2,1-2H3.
What are the key properties of 6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine?
6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 43710508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).