N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide

C13H15N5O — CID 113037962

IUPACN-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
SMILESCC(C)Nc1ccc(NC(=O)c2cccnc2)nn1
InChIInChI=1S/C13H15N5O/c1-9(2)15-11-5-6-12(18-17-11)16-13(19)10-4-3-7-14-8-10/h3-9H,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyZPLDOYCZNCDVBG-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.94
Rot. Bonds4

About N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide

N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 113037962) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID113037962
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
SMILESCC(C)Nc1ccc(NC(=O)c2cccnc2)nn1
InChIInChI=1S/C13H15N5O/c1-9(2)15-11-5-6-12(18-17-11)16-13(19)10-4-3-7-14-8-10/h3-9H,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyZPLDOYCZNCDVBG-UHFFFAOYSA-N
XLogP1.94
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113041198
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046442
N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113047284
N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113024266
N-(6-propan-2-ylpyrazin-2-yl)pyridine-3-carboxamide
CID 153291123
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113041630
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113051134
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046065
N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113047878

Frequently Asked Questions

What is the IUPAC name of N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide (CID 113037962) is N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide is CC(C)Nc1ccc(NC(=O)c2cccnc2)nn1.
What is the InChIKey of N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is ZPLDOYCZNCDVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9(2)15-11-5-6-12(18-17-11)16-13(19)10-4-3-7-14-8-10/h3-9H,1-2H3,(H,15,17)(H,16,18,19).
What are the key properties of N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide?
N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113037962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).