3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide

C11H10Cl2N4O — CID 106415778

IUPAC3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
SMILESCn1cccc1CNC(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-17-4-2-3-7(17)6-14-11(18)8-5-9(12)15-16-10(8)13/h2-5H,6H2,1H3,(H,14,18)
InChIKeyHCWRXDPYLWLJDP-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.05
Rot. Bonds3

About 3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide

3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide (PubChem CID 106415778) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
PubChem CID106415778
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
SMILESCn1cccc1CNC(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-17-4-2-3-7(17)6-14-11(18)8-5-9(12)15-16-10(8)13/h2-5H,6H2,1H3,(H,14,18)
InChIKeyHCWRXDPYLWLJDP-UHFFFAOYSA-N
XLogP2.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992
2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103734127
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide
CID 107257938
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
CID 103713431
1-chloro-N-[(1-methylpyrrol-2-yl)methyl]isoquinoline-3-carboxamide
CID 103714433
2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
CID 106415762
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide (CID 106415778) is 3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide is Cn1cccc1CNC(=O)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide?
The InChIKey is HCWRXDPYLWLJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-17-4-2-3-7(17)6-14-11(18)8-5-9(12)15-16-10(8)13/h2-5H,6H2,1H3,(H,14,18).
What are the key properties of 3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide?
3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 106415778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).