N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide

C24H26ClN5O2 — CID 166355447

IUPACN-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide
SMILESCc1ccc(C(CN(C)C)NC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1
InChIInChI=1S/C24H26ClN5O2/c1-16-7-9-17(10-8-16)21(15-30(2)3)28-24(32)27-20-6-4-5-18(13-20)23(31)29-22-12-11-19(25)14-26-22/h4-14,21H,15H2,1-3H3,(H,26,29,31)(H2,27,28,32)
InChIKeyWASYODMCEMWSKB-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.72
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide

N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide (PubChem CID 166355447) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide
PubChem CID166355447
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide
SMILESCc1ccc(C(CN(C)C)NC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1
InChIInChI=1S/C24H26ClN5O2/c1-16-7-9-17(10-8-16)21(15-30(2)3)28-24(32)27-20-6-4-5-18(13-20)23(31)29-22-12-11-19(25)14-26-22/h4-14,21H,15H2,1-3H3,(H,26,29,31)(H2,27,28,32)
InChIKeyWASYODMCEMWSKB-UHFFFAOYSA-N
XLogP4.72
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829
1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea
CID 125141657
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 19298990
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 24528764
1-(3-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide
CID 166338346
N-(5-chloro-2-pyridinyl)-3-[[1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]carbamoylamino]benzamide
CID 166324579
N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 166243490
N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide
CID 166338326
N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 75370264
3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026717

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide (CID 166355447) is N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide is Cc1ccc(C(CN(C)C)NC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide?
The InChIKey is WASYODMCEMWSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-16-7-9-17(10-8-16)21(15-30(2)3)28-24(32)27-20-6-4-5-18(13-20)23(31)29-22-12-11-19(25)14-26-22/h4-14,21H,15H2,1-3H3,(H,26,29,31)(H2,27,28,32).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide?
N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide has a molecular weight of 451.96 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide is sourced from PubChem (CID 166355447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).