N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine

C17H22N4 — CID 66914582

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine
SMILESCCN1CCN(c2ccccc2Nc2cccnc2)CC1
InChIInChI=1S/C17H22N4/c1-2-20-10-12-21(13-11-20)17-8-4-3-7-16(17)19-15-6-5-9-18-14-15/h3-9,14,19H,2,10-13H2,1H3
InChIKeyKKMJPXNTWGIBBR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine

N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine (PubChem CID 66914582) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine
PubChem CID66914582
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine
SMILESCCN1CCN(c2ccccc2Nc2cccnc2)CC1
InChIInChI=1S/C17H22N4/c1-2-20-10-12-21(13-11-20)17-8-4-3-7-16(17)19-15-6-5-9-18-14-15/h3-9,14,19H,2,10-13H2,1H3
InChIKeyKKMJPXNTWGIBBR-UHFFFAOYSA-N
XLogP2.97
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine (CID 66914582) is N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine is CCN1CCN(c2ccccc2Nc2cccnc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine?
The InChIKey is KKMJPXNTWGIBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-20-10-12-21(13-11-20)17-8-4-3-7-16(17)19-15-6-5-9-18-14-15/h3-9,14,19H,2,10-13H2,1H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine?
N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]pyridin-3-amine is sourced from PubChem (CID 66914582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).