N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide

C19H17ClN4O2 — CID 139521462

IUPACN-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)ccc1=O
InChIInChI=1S/C19H17ClN4O2/c1-2-24-18(25)9-7-16(23-24)19(26)22-17-8-6-14(12-21-17)10-13-4-3-5-15(20)11-13/h3-9,11-12H,2,10H2,1H3,(H,21,22,26)
InChIKeyZIFLRFHAOHCJGF-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.15
Rot. Bonds5

About N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide

N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide (PubChem CID 139521462) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
PubChem CID139521462
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)ccc1=O
InChIInChI=1S/C19H17ClN4O2/c1-2-24-18(25)9-7-16(23-24)19(26)22-17-8-6-14(12-21-17)10-13-4-3-5-15(20)11-13/h3-9,11-12H,2,10H2,1H3,(H,21,22,26)
InChIKeyZIFLRFHAOHCJGF-UHFFFAOYSA-N
XLogP3.15
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-(5-chloropyridin-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 2190627
N'-[(E)-(2-chlorophenyl)methylidene]-2-[5,7-dimethyl-2-oxo[1,8]naphthyridin-1(2H)-yl]acetohydrazide
CID 9584554
(3E)-3-{2-[(3-methylphenyl)carbonyl]hydrazinylidene}-N-(pyridin-2-yl)butanamide
CID 9594651
4-chloro-N-[4-[(5-methylpyridin-2-yl)amino]-4-oxobutyl]benzamide
CID 18106807
4-chloro-N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24686092
4-Chloro-N-{3-[(4-methylpyridin-2-yl)amino]-3-oxopropyl}benzamide
CID 24687552
N-(5-chloropyridin-2-yl)-3-phenylpropanamide
CID 581852
US10584134, Example 3-41
CID 5679720
N-(4-tert-Butylphenyl)-1-(3-chloropyridin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 11474160
N-[(3-chloro-4-fluoro-phenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 76321851
6-chloro-3-[[(4-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 118956202
N-[5-(3-chlorophenyl)pyridin-2-yl]pyrimidine-5-carboxamide
CID 129240156

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide (CID 139521462) is N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide is CCn1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)ccc1=O.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ZIFLRFHAOHCJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-2-24-18(25)9-7-16(23-24)19(26)22-17-8-6-14(12-21-17)10-13-4-3-5-15(20)11-13/h3-9,11-12H,2,10H2,1H3,(H,21,22,26).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139521462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).