5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide

C16H12ClIN4O — CID 55690439

IUPAC5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(-n2cccn2)c1)c1cc(Cl)ccc1I
InChIInChI=1S/C16H12ClIN4O/c17-12-2-3-14(18)13(9-12)16(23)20-10-11-4-6-19-15(8-11)22-7-1-5-21-22/h1-9H,10H2,(H,20,23)
InChIKeyJJYAOTLLLFMVPL-UHFFFAOYSA-N
MW438.66 g/mol
LogP3.46
Rot. Bonds4

About 5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide

5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide (PubChem CID 55690439) has the molecular formula C16H12ClIN4O and a molecular weight of 438.66 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
PubChem CID55690439
Molecular FormulaC16H12ClIN4O
Molecular Weight438.66 g/mol
Exact Mass437.97
IUPAC Name5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(-n2cccn2)c1)c1cc(Cl)ccc1I
InChIInChI=1S/C16H12ClIN4O/c17-12-2-3-14(18)13(9-12)16(23)20-10-11-4-6-19-15(8-11)22-7-1-5-21-22/h1-9H,10H2,(H,20,23)
InChIKeyJJYAOTLLLFMVPL-UHFFFAOYSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.66
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 46400204
4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 35651816
5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
CID 46481157
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 55852453
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 75373916
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119846907
4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
CID 120564578
4-[[(5-chloro-2-iodobenzoyl)amino]methyl]benzoic acid
CID 103790087
1-(2,3-difluorophenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 86856255
5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide
CID 46400150

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide (CID 55690439) is 5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide is O=C(NCc1ccnc(-n2cccn2)c1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is JJYAOTLLLFMVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClIN4O/c17-12-2-3-14(18)13(9-12)16(23)20-10-11-4-6-19-15(8-11)22-7-1-5-21-22/h1-9H,10H2,(H,20,23).
What are the key properties of 5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide?
5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 438.66 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55690439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).