N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide

C20H24IN3 — CID 174830367

IUPACN,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide
SMILESCc1cc(C=Cc2ccc(N(C)C)cc2)c[nH]1.I.c1ccncc1
InChIInChI=1S/C15H18N2.C5H5N.HI/c1-12-10-14(11-16-12)5-4-13-6-8-15(9-7-13)17(2)3;1-2-4-6-5-3-1;/h4-11,16H,1-3H3;1-5H;1H
InChIKeyFXSQOUWBKOCQGT-UHFFFAOYSA-N
MW433.34 g/mol
LogP5.26
Rot. Bonds3

About N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide

N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide (PubChem CID 174830367) has the molecular formula C20H24IN3 and a molecular weight of 433.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide
PubChem CID174830367
Molecular FormulaC20H24IN3
Molecular Weight433.34 g/mol
Exact Mass433.10
IUPAC NameN,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide
SMILESCc1cc(C=Cc2ccc(N(C)C)cc2)c[nH]1.I.c1ccncc1
InChIInChI=1S/C15H18N2.C5H5N.HI/c1-12-10-14(11-16-12)5-4-13-6-8-15(9-7-13)17(2)3;1-2-4-6-5-3-1;/h4-11,16H,1-3H3;1-5H;1H
InChIKeyFXSQOUWBKOCQGT-UHFFFAOYSA-N
XLogP5.26
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[(E)-2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 156734947
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
CID 6538430
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
N,N-dimethylpyridin-4-amine;pyrazine;pyridine;pyrimidine
CID 158848169
4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrimidin-4-yl]ethenyl]-N,N-dimethylaniline
CID 42643531
4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 59923921
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline
CID 101360915

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide?
The IUPAC name of N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide (CID 174830367) is N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide.
What is the SMILES notation for N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide?
The canonical SMILES for N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide is Cc1cc(C=Cc2ccc(N(C)C)cc2)c[nH]1.I.c1ccncc1.
What is the InChIKey of N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide?
The InChIKey is FXSQOUWBKOCQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.C5H5N.HI/c1-12-10-14(11-16-12)5-4-13-6-8-15(9-7-13)17(2)3;1-2-4-6-5-3-1;/h4-11,16H,1-3H3;1-5H;1H.
What are the key properties of N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide?
N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide has a molecular weight of 433.34 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(5-methyl-1H-pyrrol-3-yl)ethenyl]aniline;pyridine;hydroiodide is sourced from PubChem (CID 174830367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).