N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride

C19H23Cl2N3 — CID 16759167

IUPACN,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride
SMILESCN(C)c1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C19H21N3.2ClH/c1-22(2)18-9-7-15(8-10-18)13-16-5-4-12-21-19(16)17-6-3-11-20-14-17;;/h3,6-11,13-14H,4-5,12H2,1-2H3;2*1H/b16-13+;;
InChIKeyDHCNEWWWKHBASC-YNHPUKFJSA-N
MW364.32 g/mol
LogP4.66
Rot. Bonds3

About N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride

N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride (PubChem CID 16759167) has the molecular formula C19H23Cl2N3 and a molecular weight of 364.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride
PubChem CID16759167
Molecular FormulaC19H23Cl2N3
Molecular Weight364.32 g/mol
Exact Mass363.13
IUPAC NameN,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride
SMILESCN(C)c1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C19H21N3.2ClH/c1-22(2)18-9-7-15(8-10-18)13-16-5-4-12-21-19(16)17-6-3-11-20-14-17;;/h3,6-11,13-14H,4-5,12H2,1-2H3;2*1H/b16-13+;;
InChIKeyDHCNEWWWKHBASC-YNHPUKFJSA-N
XLogP4.66
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride?
The IUPAC name of N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride (CID 16759167) is N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride?
The canonical SMILES for N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride is CN(C)c1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride?
The InChIKey is DHCNEWWWKHBASC-YNHPUKFJSA-N. The full InChI is InChI=1S/C19H21N3.2ClH/c1-22(2)18-9-7-15(8-10-18)13-16-5-4-12-21-19(16)17-6-3-11-20-14-17;;/h3,6-11,13-14H,4-5,12H2,1-2H3;2*1H/b16-13+;;.
What are the key properties of N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride?
N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline;dihydrochloride is sourced from PubChem (CID 16759167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).