4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide

C21H19ClN4O4 — CID 139347737

IUPAC4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NC(=O)Cc3cc(Cl)ccc3O)ccn2)nc1
InChIInChI=1S/C21H19ClN4O4/c1-30-17-4-3-16(24-12-17)11-25-21(29)18-10-15(6-7-23-18)26-20(28)9-13-8-14(22)2-5-19(13)27/h2-8,10,12,27H,9,11H2,1H3,(H,25,29)(H,23,26,28)
InChIKeyIWBUVYKXCKVHAM-UHFFFAOYSA-N
MW426.86 g/mol
LogP2.96
Rot. Bonds7

About 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide

4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 139347737) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID139347737
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC Name4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NC(=O)Cc3cc(Cl)ccc3O)ccn2)nc1
InChIInChI=1S/C21H19ClN4O4/c1-30-17-4-3-16(24-12-17)11-25-21(29)18-10-15(6-7-23-18)26-20(28)9-13-8-14(22)2-5-19(13)27/h2-8,10,12,27H,9,11H2,1H3,(H,25,29)(H,23,26,28)
InChIKeyIWBUVYKXCKVHAM-UHFFFAOYSA-N
XLogP2.96
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide (CID 139347737) is 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(NC(=O)Cc3cc(Cl)ccc3O)ccn2)nc1.
What is the InChIKey of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is IWBUVYKXCKVHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c1-30-17-4-3-16(24-12-17)11-25-21(29)18-10-15(6-7-23-18)26-20(28)9-13-8-14(22)2-5-19(13)27/h2-8,10,12,27H,9,11H2,1H3,(H,25,29)(H,23,26,28).
What are the key properties of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide?
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 426.86 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[(5-methoxy-2-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 139347737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).