6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine

C15H18ClN5 — CID 133446500

IUPAC6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine
SMILESClc1cncc(NCC2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C15H18ClN5/c16-14-10-18-11-15(20-14)19-9-12-3-7-21(8-4-12)13-1-5-17-6-2-13/h1-2,5-6,10-12H,3-4,7-9H2,(H,19,20)
InChIKeyOFRJLRPZBKFEGS-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.85
Rot. Bonds4

About 6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine

6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine (PubChem CID 133446500) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine
PubChem CID133446500
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine
SMILESClc1cncc(NCC2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C15H18ClN5/c16-14-10-18-11-15(20-14)19-9-12-3-7-21(8-4-12)13-1-5-17-6-2-13/h1-2,5-6,10-12H,3-4,7-9H2,(H,19,20)
InChIKeyOFRJLRPZBKFEGS-UHFFFAOYSA-N
XLogP2.85
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine (CID 133446500) is 6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine is Clc1cncc(NCC2CCN(c3ccncc3)CC2)n1.
What is the InChIKey of 6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine?
The InChIKey is OFRJLRPZBKFEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c16-14-10-18-11-15(20-14)19-9-12-3-7-21(8-4-12)13-1-5-17-6-2-13/h1-2,5-6,10-12H,3-4,7-9H2,(H,19,20).
What are the key properties of 6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine?
6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine has a molecular weight of 303.80 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 133446500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).