1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide

C19H24N8O — CID 122326916

IUPAC1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)c3c(C)nn(C)c3C)nn2)nc1
InChIInChI=1S/C19H24N8O/c1-12-5-6-15(22-11-12)23-17-8-7-16(24-25-17)20-9-10-21-19(28)18-13(2)26-27(4)14(18)3/h5-8,11H,9-10H2,1-4H3,(H,20,24)(H,21,28)(H,22,23,25)
InChIKeyJOTYERVIEFWZNE-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.12
Rot. Bonds7

About 1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide (PubChem CID 122326916) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
PubChem CID122326916
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)c3c(C)nn(C)c3C)nn2)nc1
InChIInChI=1S/C19H24N8O/c1-12-5-6-15(22-11-12)23-17-8-7-16(24-25-17)20-9-10-21-19(28)18-13(2)26-27(4)14(18)3/h5-8,11H,9-10H2,1-4H3,(H,20,24)(H,21,28)(H,22,23,25)
InChIKeyJOTYERVIEFWZNE-UHFFFAOYSA-N
XLogP2.12
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide
CID 122326959
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 70702534
1,3,5-trimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
CID 122323865
4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122326956
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56919617
2-methoxy-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122326966
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide
CID 122326929
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
CID 122326923
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122326918
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
CID 122326850
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide
CID 122326948
(E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide
CID 122326707

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide (CID 122326916) is 1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide is Cc1ccc(Nc2ccc(NCCNC(=O)c3c(C)nn(C)c3C)nn2)nc1.
What is the InChIKey of 1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide?
The InChIKey is JOTYERVIEFWZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-12-5-6-15(22-11-12)23-17-8-7-16(24-25-17)20-9-10-21-19(28)18-13(2)26-27(4)14(18)3/h5-8,11H,9-10H2,1-4H3,(H,20,24)(H,21,28)(H,22,23,25).
What are the key properties of 1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 122326916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).