N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine

C22H31N5O — CID 175810607

IUPACN-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine
SMILESCOc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ccccn1
InChIInChI=1S/C22H31N5O/c1-25-13-15-27(16-14-25)18-8-11-26(12-9-18)19-6-7-20(21(17-19)28-2)24-22-5-3-4-10-23-22/h3-7,10,17-18H,8-9,11-16H2,1-2H3,(H,23,24)
InChIKeyYMRAWCHNGLDAOJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.05
Rot. Bonds5

About N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine

N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine (PubChem CID 175810607) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine
PubChem CID175810607
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine
SMILESCOc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ccccn1
InChIInChI=1S/C22H31N5O/c1-25-13-15-27(16-14-25)18-8-11-26(12-9-18)19-6-7-20(21(17-19)28-2)24-22-5-3-4-10-23-22/h3-7,10,17-18H,8-9,11-16H2,1-2H3,(H,23,24)
InChIKeyYMRAWCHNGLDAOJ-UHFFFAOYSA-N
XLogP3.05
TPSA43.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine?
The IUPAC name of N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine (CID 175810607) is N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine?
The canonical SMILES for N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine is COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ccccn1.
What is the InChIKey of N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine?
The InChIKey is YMRAWCHNGLDAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-25-13-15-27(16-14-25)18-8-11-26(12-9-18)19-6-7-20(21(17-19)28-2)24-22-5-3-4-10-23-22/h3-7,10,17-18H,8-9,11-16H2,1-2H3,(H,23,24).
What are the key properties of N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine?
N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine has a molecular weight of 381.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 175810607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).