N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine

C20H27ClN6 — CID 143471113

IUPACN-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine
SMILESCN/N=C/c1cc(Nc2c(C)cc(CN3CCN(C)CC3)cc2Cl)ccn1
InChIInChI=1S/C20H27ClN6/c1-15-10-16(14-27-8-6-26(3)7-9-27)11-19(21)20(15)25-17-4-5-23-18(12-17)13-24-22-2/h4-5,10-13,22H,6-9,14H2,1-3H3,(H,23,25)/b24-13+
InChIKeyFFIZQYQPXCGEMT-ZMOGYAJESA-N
MW386.93 g/mol
LogP3.09
Rot. Bonds6

About N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine

N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine (PubChem CID 143471113) has the molecular formula C20H27ClN6 and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine
PubChem CID143471113
Molecular FormulaC20H27ClN6
Molecular Weight386.93 g/mol
Exact Mass386.20
IUPAC NameN-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine
SMILESCN/N=C/c1cc(Nc2c(C)cc(CN3CCN(C)CC3)cc2Cl)ccn1
InChIInChI=1S/C20H27ClN6/c1-15-10-16(14-27-8-6-26(3)7-9-27)11-19(21)20(15)25-17-4-5-23-18(12-17)13-24-22-2/h4-5,10-13,22H,6-9,14H2,1-3H3,(H,23,25)/b24-13+
InChIKeyFFIZQYQPXCGEMT-ZMOGYAJESA-N
XLogP3.09
TPSA55.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-piperazin-1-ylpyrimidin-2-amine
CID 143471021
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-amine
CID 79245636
4-[[4-[2,6-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-2-yl]amino]benzonitrile
CID 129095867
N-[(Z)-[4-(2-chloro-6-methylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876846
4-[[4-[2,6-dimethyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]anilino]pyrimidin-2-yl]amino]benzonitrile
CID 129095869
[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888635
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
ethyl 2-chloro-4-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]benzoate
CID 170503222
4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 63886534
6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 108773215
1-[(4-tert-butyl-3-methylphenyl)methyl]-4-methylpiperazine
CID 58816228
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazolo[3,4-b]pyridin-5-amine
CID 70810938

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine?
The IUPAC name of N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine (CID 143471113) is N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine.
What is the SMILES notation for N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine?
The canonical SMILES for N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine is CN/N=C/c1cc(Nc2c(C)cc(CN3CCN(C)CC3)cc2Cl)ccn1.
What is the InChIKey of N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine?
The InChIKey is FFIZQYQPXCGEMT-ZMOGYAJESA-N. The full InChI is InChI=1S/C20H27ClN6/c1-15-10-16(14-27-8-6-26(3)7-9-27)11-19(21)20(15)25-17-4-5-23-18(12-17)13-24-22-2/h4-5,10-13,22H,6-9,14H2,1-3H3,(H,23,25)/b24-13+.
What are the key properties of N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine?
N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine has a molecular weight of 386.93 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(E)-(methylhydrazinylidene)methyl]pyridin-4-amine is sourced from PubChem (CID 143471113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).