3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine

C24H27ClN4O — CID 174502020

IUPAC3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine
SMILESCN1CCN(Cc2ccc(-c3cnc(N)c(OCc4ccccc4Cl)c3)cc2)CC1
InChIInChI=1S/C24H27ClN4O/c1-28-10-12-29(13-11-28)16-18-6-8-19(9-7-18)21-14-23(24(26)27-15-21)30-17-20-4-2-3-5-22(20)25/h2-9,14-15H,10-13,16-17H2,1H3,(H2,26,27)
InChIKeyWOBBUAYACSPAHT-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.31
Rot. Bonds6

About 3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine

3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine (PubChem CID 174502020) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine
PubChem CID174502020
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine
SMILESCN1CCN(Cc2ccc(-c3cnc(N)c(OCc4ccccc4Cl)c3)cc2)CC1
InChIInChI=1S/C24H27ClN4O/c1-28-10-12-29(13-11-28)16-18-6-8-19(9-7-18)21-14-23(24(26)27-15-21)30-17-20-4-2-3-5-22(20)25/h2-9,14-15H,10-13,16-17H2,1H3,(H2,26,27)
InChIKeyWOBBUAYACSPAHT-UHFFFAOYSA-N
XLogP4.31
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dichlorophenyl)methoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 174487807
3-[(2-chloro-4-fluorophenyl)methoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 174487943
3-[1-(2,6-dichlorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 174502015
[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 10004959
[4-[[2-amino-5-[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]oxymethyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 58886211
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 174487822
3-[(2-chloro-6-fluorophenyl)methoxy]-5-[4-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]pyridin-2-amine
CID 174488011
1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine
CID 146252821
4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid
CID 10318129
5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
CID 159636059
2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 142774241
5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine
CID 21110956

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine (CID 174502020) is 3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine is CN1CCN(Cc2ccc(-c3cnc(N)c(OCc4ccccc4Cl)c3)cc2)CC1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine?
The InChIKey is WOBBUAYACSPAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-28-10-12-29(13-11-28)16-18-6-8-19(9-7-18)21-14-23(24(26)27-15-21)30-17-20-4-2-3-5-22(20)25/h2-9,14-15H,10-13,16-17H2,1H3,(H2,26,27).
What are the key properties of 3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine?
3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine has a molecular weight of 422.96 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 174502020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).