6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide

C13H19ClN4O — CID 61216005

IUPAC6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2ccc(Cl)nn2)C1
InChIInChI=1S/C13H19ClN4O/c1-9(2)18-6-5-10(8-18)7-15-13(19)11-3-4-12(14)17-16-11/h3-4,9-10H,5-8H2,1-2H3,(H,15,19)
InChIKeyAKHYKBCIOPXVLN-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.59
Rot. Bonds4

About 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide

6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide (PubChem CID 61216005) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide
PubChem CID61216005
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2ccc(Cl)nn2)C1
InChIInChI=1S/C13H19ClN4O/c1-9(2)18-6-5-10(8-18)7-15-13(19)11-3-4-12(14)17-16-11/h3-4,9-10H,5-8H2,1-2H3,(H,15,19)
InChIKeyAKHYKBCIOPXVLN-UHFFFAOYSA-N
XLogP1.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 95388376
6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146608
2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66290632
6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63712476
5-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 107374811
6-(ethylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 62238644
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
6-chloro-N-[(3-hydroxycyclopentyl)methyl]pyridazine-3-carboxamide
CID 106120095
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]pyridazine-3-carboxamide
CID 79083051
4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
CID 61208730

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide (CID 61216005) is 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide is CC(C)N1CCC(CNC(=O)c2ccc(Cl)nn2)C1.
What is the InChIKey of 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide?
The InChIKey is AKHYKBCIOPXVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-9(2)18-6-5-10(8-18)7-15-13(19)11-3-4-12(14)17-16-11/h3-4,9-10H,5-8H2,1-2H3,(H,15,19).
What are the key properties of 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide?
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 61216005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).