N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide

C21H18ClN3O3 — CID 167869744

IUPACN-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccc(O)cc1Cl)NCc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H18ClN3O3/c22-19-11-18(26)8-5-15(19)10-20(27)24-12-14-3-6-17(7-4-14)25-21(28)16-2-1-9-23-13-16/h1-9,11,13,26H,10,12H2,(H,24,27)(H,25,28)
InChIKeyAQPYFSOJDAFRKR-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.55
Rot. Bonds6

About N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide

N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 167869744) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID167869744
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccc(O)cc1Cl)NCc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H18ClN3O3/c22-19-11-18(26)8-5-15(19)10-20(27)24-12-14-3-6-17(7-4-14)25-21(28)16-2-1-9-23-13-16/h1-9,11,13,26H,10,12H2,(H,24,27)(H,25,28)
InChIKeyAQPYFSOJDAFRKR-UHFFFAOYSA-N
XLogP3.55
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925705
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925692
N-[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925213
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925742

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 167869744) is N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is O=C(Cc1ccc(O)cc1Cl)NCc1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is AQPYFSOJDAFRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-19-11-18(26)8-5-15(19)10-20(27)24-12-14-3-6-17(7-4-14)25-21(28)16-2-1-9-23-13-16/h1-9,11,13,26H,10,12H2,(H,24,27)(H,25,28).
What are the key properties of N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 167869744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).