N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide

C13H21N5O — CID 62165895

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc(NC)nn1
InChIInChI=1S/C13H21N5O/c1-3-18-8-4-5-10(18)9-15-13(19)11-6-7-12(14-2)17-16-11/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyOVBSHWSIKUAXSC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.73
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 62165895) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide
PubChem CID62165895
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc(NC)nn1
InChIInChI=1S/C13H21N5O/c1-3-18-8-4-5-10(18)9-15-13(19)11-6-7-12(14-2)17-16-11/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyOVBSHWSIKUAXSC-UHFFFAOYSA-N
XLogP0.73
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 104640017
N-[(1-ethylpyrrolidin-2-yl)methyl]-7-oxo-8H-1,8-naphthyridine-2-carboxamide
CID 166391177
6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382089
6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133343187
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide (CID 62165895) is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide is CCN1CCCC1CNC(=O)c1ccc(NC)nn1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is OVBSHWSIKUAXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-18-8-4-5-10(18)9-15-13(19)11-6-7-12(14-2)17-16-11/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,17)(H,15,19).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62165895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).