N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide

C13H13ClN4O — CID 104623754

IUPACN-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C13H13ClN4O/c1-3-11-10(6-8(2)17-18-11)13(19)16-9-4-5-12(14)15-7-9/h4-7H,3H2,1-2H3,(H,16,19)
InChIKeyYELXDICVWIUWAN-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.65
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104623754) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104623754
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC NameN-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C13H13ClN4O/c1-3-11-10(6-8(2)17-18-11)13(19)16-9-4-5-12(14)15-7-9/h4-7H,3H2,1-2H3,(H,16,19)
InChIKeyYELXDICVWIUWAN-UHFFFAOYSA-N
XLogP2.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669073
3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide
CID 136530773
6-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 104669549
N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 136905898
N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671325
N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624333
N-(6-bromo-2-methyl-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625308
N-(3-chloropropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670847
N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623080
N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881040

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104623754) is N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is YELXDICVWIUWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-3-11-10(6-8(2)17-18-11)13(19)16-9-4-5-12(14)15-7-9/h4-7H,3H2,1-2H3,(H,16,19).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104623754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).