N-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide

C21H18ClN3O3 — CID 139347733

IUPACN-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESO=C(Cc1cc(Cl)ccc1O)Nc1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H18ClN3O3/c22-16-6-7-19(26)15(10-16)11-20(27)25-17-8-9-23-18(12-17)21(28)24-13-14-4-2-1-3-5-14/h1-10,12,26H,11,13H2,(H,24,28)(H,23,25,27)
InChIKeyGCJQRBLBGOUCHZ-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.55
Rot. Bonds6

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

N-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 139347733) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
PubChem CID139347733
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESO=C(Cc1cc(Cl)ccc1O)Nc1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H18ClN3O3/c22-16-6-7-19(26)15(10-16)11-20(27)25-17-8-9-23-18(12-17)21(28)24-13-14-4-2-1-3-5-14/h1-10,12,26H,11,13H2,(H,24,28)(H,23,25,27)
InChIKeyGCJQRBLBGOUCHZ-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

3-(5-chloro-2-hydroxyphenyl)-N-(3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 1969650
US20200361871A1, Example 36
CID 139347764
5-chloro-N-(3-chloropyridin-4-yl)-2-hydroxybenzamide
CID 46836254
Casein kinase 1|A-IN-10
CID 5442100
N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218549
1-[(6-chloro-3-pyridinyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135951776
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968273
5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide
CID 162655386
5-chloro-N-[2-chloro-4-(pyridin-4-ylmethylamino)phenyl]-2-hydroxybenzamide
CID 162659350
5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide
CID 162674843
US20200361871A1, Example 81.2
CID 139347709
US20200361871A1, Example 81.4
CID 139347719

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide (CID 139347733) is N-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide is O=C(Cc1cc(Cl)ccc1O)Nc1ccnc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The InChIKey is GCJQRBLBGOUCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-16-6-7-19(26)15(10-16)11-20(27)25-17-8-9-23-18(12-17)21(28)24-13-14-4-2-1-3-5-14/h1-10,12,26H,11,13H2,(H,24,28)(H,23,25,27).
What are the key properties of N-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
N-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-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-benzyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 139347733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).