4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine

C16H23N5 — CID 114719132

IUPAC4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine
SMILESCCCN1CCC(n2cncc2-c2ccnc(N)c2)CC1
InChIInChI=1S/C16H23N5/c1-2-7-20-8-4-14(5-9-20)21-12-18-11-15(21)13-3-6-19-16(17)10-13/h3,6,10-12,14H,2,4-5,7-9H2,1H3,(H2,17,19)
InChIKeyTXOHPQBELBQLJU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.57
Rot. Bonds4

About 4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine

4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114719132) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine
PubChem CID114719132
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine
SMILESCCCN1CCC(n2cncc2-c2ccnc(N)c2)CC1
InChIInChI=1S/C16H23N5/c1-2-7-20-8-4-14(5-9-20)21-12-18-11-15(21)13-3-6-19-16(17)10-13/h3,6,10-12,14H,2,4-5,7-9H2,1H3,(H2,17,19)
InChIKeyTXOHPQBELBQLJU-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine (CID 114719132) is 4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine is CCCN1CCC(n2cncc2-c2ccnc(N)c2)CC1.
What is the InChIKey of 4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is TXOHPQBELBQLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-7-20-8-4-14(5-9-20)21-12-18-11-15(21)13-3-6-19-16(17)10-13/h3,6,10-12,14H,2,4-5,7-9H2,1H3,(H2,17,19).
What are the key properties of 4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine?
4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114719132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).