2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline

C19H22N4 — CID 59432750

IUPAC2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline
SMILESC=C1CCC(c2ccc(-c3ccncc3)cc2NC(C)C)=NN1
InChIInChI=1S/C19H22N4/c1-13(2)21-19-12-16(15-8-10-20-11-9-15)5-6-17(19)18-7-4-14(3)22-23-18/h5-6,8-13,21-22H,3-4,7H2,1-2H3
InChIKeyMQDCLQWEHZKTQF-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.17
Rot. Bonds4

About 2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline

2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline (PubChem CID 59432750) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline.

Molecular Properties

Compound Name2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline
PubChem CID59432750
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline
SMILESC=C1CCC(c2ccc(-c3ccncc3)cc2NC(C)C)=NN1
InChIInChI=1S/C19H22N4/c1-13(2)21-19-12-16(15-8-10-20-11-9-15)5-6-17(19)18-7-4-14(3)22-23-18/h5-6,8-13,21-22H,3-4,7H2,1-2H3
InChIKeyMQDCLQWEHZKTQF-UHFFFAOYSA-N
XLogP4.17
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline?
The IUPAC name of 2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline (CID 59432750) is 2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline.
What is the SMILES notation for 2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline?
The canonical SMILES for 2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline is C=C1CCC(c2ccc(-c3ccncc3)cc2NC(C)C)=NN1.
What is the InChIKey of 2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline?
The InChIKey is MQDCLQWEHZKTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-13(2)21-19-12-16(15-8-10-20-11-9-15)5-6-17(19)18-7-4-14(3)22-23-18/h5-6,8-13,21-22H,3-4,7H2,1-2H3.
What are the key properties of 2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline?
2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline has a molecular weight of 306.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline is sourced from PubChem (CID 59432750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).