4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine

C24H27ClN4O2 — CID 71540620

IUPAC4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
SMILESCOc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)c1
InChIInChI=1S/C24H27ClN4O2/c1-28-10-12-29(13-11-28)21-6-5-19(16-23(21)31-3)27-24-14-17(8-9-26-24)20-15-18(25)4-7-22(20)30-2/h4-9,14-16H,10-13H2,1-3H3,(H,26,27)
InChIKeyOEJWLFFGGRLKTR-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.91
Rot. Bonds6

About 4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine

4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine (PubChem CID 71540620) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
PubChem CID71540620
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
SMILESCOc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)c1
InChIInChI=1S/C24H27ClN4O2/c1-28-10-12-29(13-11-28)21-6-5-19(16-23(21)31-3)27-24-14-17(8-9-26-24)20-15-18(25)4-7-22(20)30-2/h4-9,14-16H,10-13H2,1-3H3,(H,26,27)
InChIKeyOEJWLFFGGRLKTR-UHFFFAOYSA-N
XLogP4.91
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine (CID 71540620) is 4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine is COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)c1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
The InChIKey is OEJWLFFGGRLKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-28-10-12-29(13-11-28)21-6-5-19(16-23(21)31-3)27-24-14-17(8-9-26-24)20-15-18(25)4-7-22(20)30-2/h4-9,14-16H,10-13H2,1-3H3,(H,26,27).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine has a molecular weight of 438.96 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 71540620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).