3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide

C17H11Cl2N3O3 — CID 137152670

IUPAC3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(O)c(O)cc2Cl)cn1)c1ccncc1Cl
InChIInChI=1S/C17H11Cl2N3O3/c18-12-6-15(24)14(23)5-11(12)9-1-2-16(21-7-9)22-17(25)10-3-4-20-8-13(10)19/h1-8,23-24H,(H,21,22,25)
InChIKeyBDTOILSQNMTSIH-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.11
Rot. Bonds3

About 3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide

3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 137152670) has the molecular formula C17H11Cl2N3O3 and a molecular weight of 376.20 g/mol. Its IUPAC name is 3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide
PubChem CID137152670
Molecular FormulaC17H11Cl2N3O3
Molecular Weight376.20 g/mol
Exact Mass375.02
IUPAC Name3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(O)c(O)cc2Cl)cn1)c1ccncc1Cl
InChIInChI=1S/C17H11Cl2N3O3/c18-12-6-15(24)14(23)5-11(12)9-1-2-16(21-7-9)22-17(25)10-3-4-20-8-13(10)19/h1-8,23-24H,(H,21,22,25)
InChIKeyBDTOILSQNMTSIH-UHFFFAOYSA-N
XLogP4.11
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide
CID 58487125
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 58487233
N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 71010092
5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide
CID 156706077
2-chloro-5-hydroxy-N-pyrazin-2-ylbenzamide
CID 106501440
3-hydroxy-N-(5-iodo-2-pyridinyl)pyridine-4-carboxamide
CID 81443318
2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid
CID 66463779
N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide
CID 75388632
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
N-(3,4-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442671
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-pyridinyl]benzamide
CID 23828920

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide (CID 137152670) is 3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide is O=C(Nc1ccc(-c2cc(O)c(O)cc2Cl)cn1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is BDTOILSQNMTSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O3/c18-12-6-15(24)14(23)5-11(12)9-1-2-16(21-7-9)22-17(25)10-3-4-20-8-13(10)19/h1-8,23-24H,(H,21,22,25).
What are the key properties of 3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide?
3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 376.20 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 137152670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).