N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide

C20H25ClN4O2 — CID 78817210

IUPACN-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H25ClN4O2/c1-4-11-25(13-19(26)23-17-8-6-5-7-14(17)2)15(3)20(27)24-18-10-9-16(21)12-22-18/h5-10,12,15H,4,11,13H2,1-3H3,(H,23,26)(H,22,24,27)
InChIKeyRNZUKQDQHYWCGX-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.72
Rot. Bonds8

About N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide

N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide (PubChem CID 78817210) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
PubChem CID78817210
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H25ClN4O2/c1-4-11-25(13-19(26)23-17-8-6-5-7-14(17)2)15(3)20(27)24-18-10-9-16(21)12-22-18/h5-10,12,15H,4,11,13H2,1-3H3,(H,23,26)(H,22,24,27)
InChIKeyRNZUKQDQHYWCGX-UHFFFAOYSA-N
XLogP3.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-pyrimidin-2-ylpropanamide
CID 78834668
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 78840464
N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78789589
N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78787959
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 6464449
3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911992
2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide
CID 120904023
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 110881682
N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46601522
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
CID 51171051
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide (CID 78817210) is N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide is CCCN(CC(=O)Nc1ccccc1C)C(C)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide?
The InChIKey is RNZUKQDQHYWCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-4-11-25(13-19(26)23-17-8-6-5-7-14(17)2)15(3)20(27)24-18-10-9-16(21)12-22-18/h5-10,12,15H,4,11,13H2,1-3H3,(H,23,26)(H,22,24,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide?
N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide has a molecular weight of 388.90 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide is sourced from PubChem (CID 78817210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).