6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide

C16H14ClIN4O — CID 89065817

IUPAC6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)cc1NCc1ccccc1I1C=CC=N1
InChIInChI=1S/C16H14ClIN4O/c17-15-8-14(12(10-21-15)16(19)23)20-9-11-4-1-2-5-13(11)18-6-3-7-22-18/h1-8,10H,9H2,(H2,19,23)(H,20,21)
InChIKeyHTVOCJAQYNVVMS-UHFFFAOYSA-N
MW440.67 g/mol
LogP3.64
Rot. Bonds5

About 6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide

6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 89065817) has the molecular formula C16H14ClIN4O and a molecular weight of 440.67 g/mol. Its IUPAC name is 6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID89065817
Molecular FormulaC16H14ClIN4O
Molecular Weight440.67 g/mol
Exact Mass439.99
IUPAC Name6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)cc1NCc1ccccc1I1C=CC=N1
InChIInChI=1S/C16H14ClIN4O/c17-15-8-14(12(10-21-15)16(19)23)20-9-11-4-1-2-5-13(11)18-6-3-7-22-18/h1-8,10H,9H2,(H2,19,23)(H,20,21)
InChIKeyHTVOCJAQYNVVMS-UHFFFAOYSA-N
XLogP3.64
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.67
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide
CID 58440080
6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide
CID 58440060
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774
6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide
CID 76789381
6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide
CID 58440318
4-[[4-(aminomethyl)cyclohexyl]methylamino]-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 11951250
4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide
CID 123575616
6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 58450631
5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 61358389
6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide
CID 143999736
6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide
CID 175501474
2-[(2,3-dichloroanilino)methyl]benzamide
CID 28774931

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide (CID 89065817) is 6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide is NC(=O)c1cnc(Cl)cc1NCc1ccccc1I1C=CC=N1.
What is the InChIKey of 6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is HTVOCJAQYNVVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClIN4O/c17-15-8-14(12(10-21-15)16(19)23)20-9-11-4-1-2-5-13(11)18-6-3-7-22-18/h1-8,10H,9H2,(H2,19,23)(H,20,21).
What are the key properties of 6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide?
6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 440.67 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 89065817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).