N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline

C22H24N2 — CID 18428010

IUPACN-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline
SMILESCNc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H24N2/c1-23-22-12-10-19(11-13-22)7-5-6-16-24-17-14-21(15-18-24)20-8-3-2-4-9-20/h2-4,8-14,23H,6,15-18H2,1H3
InChIKeyURHBUWUKNSMMAU-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.26
Rot. Bonds4

About N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline

N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline (PubChem CID 18428010) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline
PubChem CID18428010
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC NameN-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline
SMILESCNc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H24N2/c1-23-22-12-10-19(11-13-22)7-5-6-16-24-17-14-21(15-18-24)20-8-3-2-4-9-20/h2-4,8-14,23H,6,15-18H2,1H3
InChIKeyURHBUWUKNSMMAU-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline?
The IUPAC name of N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline (CID 18428010) is N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline.
What is the SMILES notation for N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline?
The canonical SMILES for N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline is CNc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cc1.
What is the InChIKey of N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline?
The InChIKey is URHBUWUKNSMMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-23-22-12-10-19(11-13-22)7-5-6-16-24-17-14-21(15-18-24)20-8-3-2-4-9-20/h2-4,8-14,23H,6,15-18H2,1H3.
What are the key properties of N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline?
N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline has a molecular weight of 316.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline is sourced from PubChem (CID 18428010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).