3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide

C21H20ClN3O — CID 113017754

IUPAC3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
SMILESCC(C)c1ccccc1Nc1ccc(NC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C21H20ClN3O/c1-14(2)18-8-3-4-9-19(18)25-20-11-10-17(13-23-20)24-21(26)15-6-5-7-16(22)12-15/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyIRNQTFOVNSFYCC-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.85
Rot. Bonds5

About 3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide

3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide (PubChem CID 113017754) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
PubChem CID113017754
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
SMILESCC(C)c1ccccc1Nc1ccc(NC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C21H20ClN3O/c1-14(2)18-8-3-4-9-19(18)25-20-11-10-17(13-23-20)24-21(26)15-6-5-7-16(22)12-15/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyIRNQTFOVNSFYCC-UHFFFAOYSA-N
XLogP5.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017755
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 113016786
N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267863
N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide
CID 113009751
methyl 4-[[6-(2-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163018
N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide
CID 113022321
3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113017723
2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
CID 113017751
methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035276
3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024131
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109163021

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide (CID 113017754) is 3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide is CC(C)c1ccccc1Nc1ccc(NC(=O)c2cccc(Cl)c2)cn1.
What is the InChIKey of 3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide?
The InChIKey is IRNQTFOVNSFYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14(2)18-8-3-4-9-19(18)25-20-11-10-17(13-23-20)24-21(26)15-6-5-7-16(22)12-15/h3-14H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide?
3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide has a molecular weight of 365.86 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113017754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).