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

C17H21IN4O — CID 71540971

IUPAC4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
SMILESCOc1cc(Nc2cc(I)ccn2)ccc1N1CCN(C)CC1
InChIInChI=1S/C17H21IN4O/c1-21-7-9-22(10-8-21)15-4-3-14(12-16(15)23-2)20-17-11-13(18)5-6-19-17/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)
InChIKeyJAUWMYTWSAZXGT-UHFFFAOYSA-N
MW424.29 g/mol
LogP3.19
Rot. Bonds4

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

4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine (PubChem CID 71540971) has the molecular formula C17H21IN4O and a molecular weight of 424.29 g/mol. Its IUPAC name is 4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
PubChem CID71540971
Molecular FormulaC17H21IN4O
Molecular Weight424.29 g/mol
Exact Mass424.08
IUPAC Name4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
SMILESCOc1cc(Nc2cc(I)ccn2)ccc1N1CCN(C)CC1
InChIInChI=1S/C17H21IN4O/c1-21-7-9-22(10-8-21)15-4-3-14(12-16(15)23-2)20-17-11-13(18)5-6-19-17/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)
InChIKeyJAUWMYTWSAZXGT-UHFFFAOYSA-N
XLogP3.19
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine
CID 141314522
N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]pyridin-2-amine
CID 163287379
4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine
CID 71540732
N-(3-chloro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968425
N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789671
N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine
CID 117077782
5-chloro-2-[3-methoxy-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]anilino]pyrimidine-4-carboxylic acid
CID 169085574
1-(2-hydroxyethyl)-3-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrrole-2,5-dione
CID 168556698
1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 139408176
2-N-[3-[2-(dimethylamino)ethoxy]-4-morpholin-4-ylphenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine;2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 176696808
2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168524286
4-(2,6-dimethylphenyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 69070563

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of 4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine (CID 71540971) is 4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine is COc1cc(Nc2cc(I)ccn2)ccc1N1CCN(C)CC1.
What is the InChIKey of 4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
The InChIKey is JAUWMYTWSAZXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN4O/c1-21-7-9-22(10-8-21)15-4-3-14(12-16(15)23-2)20-17-11-13(18)5-6-19-17/h3-6,11-12H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine has a molecular weight of 424.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 71540971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).