4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide

C12H13N5O — CID 106897669

IUPAC4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCc1cccnn1
InChIInChI=1S/C12H13N5O/c1-13-11-4-6-14-8-10(11)12(18)15-7-9-3-2-5-16-17-9/h2-6,8H,7H2,1H3,(H,13,14)(H,15,18)
InChIKeyZMZQNPQMQJNOQT-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.84
Rot. Bonds4

About 4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide

4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 106897669) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID106897669
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCc1cccnn1
InChIInChI=1S/C12H13N5O/c1-13-11-4-6-14-8-10(11)12(18)15-7-9-3-2-5-16-17-9/h2-6,8H,7H2,1H3,(H,13,14)(H,15,18)
InChIKeyZMZQNPQMQJNOQT-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

N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81245012
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81243134
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
5-(methylamino)-N-(pyridazin-3-ylmethyl)pyrazine-2-carboxamide
CID 107377345
4-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81235207
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145
4-hydrazinyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 81255921
2-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzamide
CID 106896095
2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894585
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106898056

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide (CID 106897669) is 4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide is CNc1ccncc1C(=O)NCc1cccnn1.
What is the InChIKey of 4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ZMZQNPQMQJNOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-13-11-4-6-14-8-10(11)12(18)15-7-9-3-2-5-16-17-9/h2-6,8H,7H2,1H3,(H,13,14)(H,15,18).
What are the key properties of 4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide?
4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-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 4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106897669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).