6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine

C15H21N5 — CID 141245818

IUPAC6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine
SMILESC[C@@H]1CN[C@@H](C)CN1c1ccc(Nc2ccc[nH]2)cn1
InChIInChI=1S/C15H21N5/c1-11-10-20(12(2)8-17-11)15-6-5-13(9-18-15)19-14-4-3-7-16-14/h3-7,9,11-12,16-17,19H,8,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyGJOPEUTWNRRBGW-NWDGAFQWSA-N
MW271.37 g/mol
LogP2.34
Rot. Bonds3

About 6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine

6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine (PubChem CID 141245818) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine
PubChem CID141245818
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine
SMILESC[C@@H]1CN[C@@H](C)CN1c1ccc(Nc2ccc[nH]2)cn1
InChIInChI=1S/C15H21N5/c1-11-10-20(12(2)8-17-11)15-6-5-13(9-18-15)19-14-4-3-7-16-14/h3-7,9,11-12,16-17,19H,8,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyGJOPEUTWNRRBGW-NWDGAFQWSA-N
XLogP2.34
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine?
The IUPAC name of 6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine (CID 141245818) is 6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine?
The canonical SMILES for 6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine is C[C@@H]1CN[C@@H](C)CN1c1ccc(Nc2ccc[nH]2)cn1.
What is the InChIKey of 6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine?
The InChIKey is GJOPEUTWNRRBGW-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-10-20(12(2)8-17-11)15-6-5-13(9-18-15)19-14-4-3-7-16-14/h3-7,9,11-12,16-17,19H,8,10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine?
6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine has a molecular weight of 271.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(1H-pyrrol-2-yl)pyridin-3-amine is sourced from PubChem (CID 141245818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).