N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine

C19H21N7 — CID 95823834

IUPACN-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine
SMILESc1ccc(Nc2cnc(CC3CCN(c4ncccn4)CC3)cn2)nc1
InChIInChI=1S/C19H21N7/c1-2-7-20-17(4-1)25-18-14-23-16(13-24-18)12-15-5-10-26(11-6-15)19-21-8-3-9-22-19/h1-4,7-9,13-15H,5-6,10-12H2,(H,20,24,25)
InChIKeyJVCKYPWDWSSOJV-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.86
Rot. Bonds5

About N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine

N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine (PubChem CID 95823834) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine
PubChem CID95823834
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC NameN-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine
SMILESc1ccc(Nc2cnc(CC3CCN(c4ncccn4)CC3)cn2)nc1
InChIInChI=1S/C19H21N7/c1-2-7-20-17(4-1)25-18-14-23-16(13-24-18)12-15-5-10-26(11-6-15)19-21-8-3-9-22-19/h1-4,7-9,13-15H,5-6,10-12H2,(H,20,24,25)
InChIKeyJVCKYPWDWSSOJV-UHFFFAOYSA-N
XLogP2.86
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine (CID 95823834) is N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine is c1ccc(Nc2cnc(CC3CCN(c4ncccn4)CC3)cn2)nc1.
What is the InChIKey of N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine?
The InChIKey is JVCKYPWDWSSOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-2-7-20-17(4-1)25-18-14-23-16(13-24-18)12-15-5-10-26(11-6-15)19-21-8-3-9-22-19/h1-4,7-9,13-15H,5-6,10-12H2,(H,20,24,25).
What are the key properties of N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine?
N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine has a molecular weight of 347.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 95823834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).