6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine

C24H27ClN4O2 — CID 141212303

IUPAC6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
SMILESCOc1cc(N2CCN(C)CC2)ccc1Nc1cccc(-c2c(Cl)cccc2OC)n1
InChIInChI=1S/C24H27ClN4O2/c1-28-12-14-29(15-13-28)17-10-11-19(22(16-17)31-3)26-23-9-5-7-20(27-23)24-18(25)6-4-8-21(24)30-2/h4-11,16H,12-15H2,1-3H3,(H,26,27)
InChIKeyOLGCTIRCDWAYNE-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.91
Rot. Bonds6

About 6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine

6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine (PubChem CID 141212303) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
PubChem CID141212303
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
SMILESCOc1cc(N2CCN(C)CC2)ccc1Nc1cccc(-c2c(Cl)cccc2OC)n1
InChIInChI=1S/C24H27ClN4O2/c1-28-12-14-29(15-13-28)17-10-11-19(22(16-17)31-3)26-23-9-5-7-20(27-23)24-18(25)6-4-8-21(24)30-2/h4-11,16H,12-15H2,1-3H3,(H,26,27)
InChIKeyOLGCTIRCDWAYNE-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

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Related Compounds

[5-(3,5-difluorophenyl)-3-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]indazol-1-yl]methanol
CID 175413609
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine
CID 175810607
2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-[3-(1,2,4-triazol-4-yl)phenyl]pyridine-2,4-diamine
CID 167515361
5-chloro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 170156097
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperazin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 56965976
5-chloro-2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-[(1R)-1-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 170241848
7-chloro-5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-3H-pyrido[3,4-d]pyridazin-4-one
CID 90187849
2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-methyl-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 130427069
N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]-3-piperidin-1-ylpropanamide
CID 90655433
5-chloro-4-N-(2-ethylsulfinyl-4-fluorophenyl)-2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 164608735

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of 6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine (CID 141212303) is 6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine is COc1cc(N2CCN(C)CC2)ccc1Nc1cccc(-c2c(Cl)cccc2OC)n1.
What is the InChIKey of 6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
The InChIKey is OLGCTIRCDWAYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-28-12-14-29(15-13-28)17-10-11-19(22(16-17)31-3)26-23-9-5-7-20(27-23)24-18(25)6-4-8-21(24)30-2/h4-11,16H,12-15H2,1-3H3,(H,26,27).
What are the key properties of 6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
6-(2-chloro-6-methoxyphenyl)-N-[2-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 6-(2-chloro-6-methoxyphenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 141212303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).