N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide

C16H12ClN5O — CID 143072017

IUPACN-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide
SMILESO=CNNc1nncc(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C16H12ClN5O/c17-13-3-1-11(2-4-13)14-9-19-21-16(22-20-10-23)15(14)12-5-7-18-8-6-12/h1-10H,(H,20,23)(H,21,22)
InChIKeyGPGVUINGCGOSIL-UHFFFAOYSA-N
MW325.76 g/mol
LogP2.93
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide

N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide (PubChem CID 143072017) has the molecular formula C16H12ClN5O and a molecular weight of 325.76 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide
PubChem CID143072017
Molecular FormulaC16H12ClN5O
Molecular Weight325.76 g/mol
Exact Mass325.07
IUPAC NameN-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide
SMILESO=CNNc1nncc(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C16H12ClN5O/c17-13-3-1-11(2-4-13)14-9-19-21-16(22-20-10-23)15(14)12-5-7-18-8-6-12/h1-10H,(H,20,23)(H,21,22)
InChIKeyGPGVUINGCGOSIL-UHFFFAOYSA-N
XLogP2.93
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloropyridine;formyl chloride;hydrochloride
CID 172711857
N-[[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]amino]formamide
CID 143380111
4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine
CID 21036742
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
4-chloropyridine;formaldehyde
CID 161076349
5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one
CID 58772850
2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 143380298
6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
CID 18767973
N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide
CID 58858336
7-(4-chlorophenyl)-8-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11988751
4-chloro-3,5-dipyridin-4-ylpyridine
CID 46316335
3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 24886930

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide (CID 143072017) is N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide is O=CNNc1nncc(-c2ccc(Cl)cc2)c1-c1ccncc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide?
The InChIKey is GPGVUINGCGOSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O/c17-13-3-1-11(2-4-13)14-9-19-21-16(22-20-10-23)15(14)12-5-7-18-8-6-12/h1-10H,(H,20,23)(H,21,22).
What are the key properties of N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide?
N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide has a molecular weight of 325.76 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-4-pyridin-4-ylpyridazin-3-yl]amino]formamide is sourced from PubChem (CID 143072017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).