3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide

C14H22N4O — CID 104971654

IUPAC3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C14H22N4O/c1-3-13-12(9-10(2)17-18-13)14(19)16-8-6-11-5-4-7-15-11/h9,11,15H,3-8H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyKHAAYDUVSHJIMC-LLVKDONJSA-N
MW262.36 g/mol
LogP1.22
Rot. Bonds5

About 3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide

3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide (PubChem CID 104971654) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide
PubChem CID104971654
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C14H22N4O/c1-3-13-12(9-10(2)17-18-13)14(19)16-8-6-11-5-4-7-15-11/h9,11,15H,3-8H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyKHAAYDUVSHJIMC-LLVKDONJSA-N
XLogP1.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
3-ethyl-6-methyl-N-(morpholin-3-ylmethyl)pyridazine-4-carboxamide
CID 103548617
6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104955353
2-hydroxy-5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972264
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide
CID 104955274
2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793797
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971649
1,5,6-trimethyl-2-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-3-carboxamide
CID 74231255
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793714
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671254

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide (CID 104971654) is 3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NCC[C@H]1CCCN1.
What is the InChIKey of 3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide?
The InChIKey is KHAAYDUVSHJIMC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-13-12(9-10(2)17-18-13)14(19)16-8-6-11-5-4-7-15-11/h9,11,15H,3-8H2,1-2H3,(H,16,19)/t11-/m1/s1.
What are the key properties of 3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide?
3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104971654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).