6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide

C12H13N5O — CID 106897654

IUPAC6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NCc2cccnn2)n1
InChIInChI=1S/C12H13N5O/c1-13-11-6-2-5-10(16-11)12(18)14-8-9-4-3-7-15-17-9/h2-7H,8H2,1H3,(H,13,16)(H,14,18)
InChIKeyWGGHVDSCVIHYLG-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.84
Rot. Bonds4

About 6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide

6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 106897654) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID106897654
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NCc2cccnn2)n1
InChIInChI=1S/C12H13N5O/c1-13-11-6-2-5-10(16-11)12(18)14-8-9-4-3-7-15-17-9/h2-7H,8H2,1H3,(H,13,16)(H,14,18)
InChIKeyWGGHVDSCVIHYLG-UHFFFAOYSA-N
XLogP0.84
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106897774
6-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 62308602
6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106832234
5-(methylamino)-N-(pyridazin-3-ylmethyl)pyrazine-2-carboxamide
CID 107377345
6-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 62238643
6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 55052384
6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide
CID 62239696
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridazine-3-carboxamide
CID 106897771
4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897669
N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide
CID 114162803
6-(methylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106408419
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide (CID 106897654) is 6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide is CNc1cccc(C(=O)NCc2cccnn2)n1.
What is the InChIKey of 6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is WGGHVDSCVIHYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-13-11-6-2-5-10(16-11)12(18)14-8-9-4-3-7-15-17-9/h2-7H,8H2,1H3,(H,13,16)(H,14,18).
What are the key properties of 6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106897654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).