N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide

C21H25ClN4O2 — CID 84568196

IUPACN-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)Nc2cc(Cl)ccn2)C2CC2)c1
InChIInChI=1S/C21H25ClN4O2/c1-14-3-4-15(2)18(11-14)24-21(28)13-26(17-5-6-17)10-8-20(27)25-19-12-16(22)7-9-23-19/h3-4,7,9,11-12,17H,5-6,8,10,13H2,1-2H3,(H,24,28)(H,23,25,27)
InChIKeyNWIKEIDFMPHYBD-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.78
Rot. Bonds8

About N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide

N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 84568196) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
PubChem CID84568196
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC NameN-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)Nc2cc(Cl)ccn2)C2CC2)c1
InChIInChI=1S/C21H25ClN4O2/c1-14-3-4-15(2)18(11-14)24-21(28)13-26(17-5-6-17)10-8-20(27)25-19-12-16(22)7-9-23-19/h3-4,7,9,11-12,17H,5-6,8,10,13H2,1-2H3,(H,24,28)(H,23,25,27)
InChIKeyNWIKEIDFMPHYBD-UHFFFAOYSA-N
XLogP3.78
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-fluoro-2-pyridinyl)propanamide
CID 84568189
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567729
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 84568147
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,3-dimethylphenyl)propanamide
CID 84567732
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 84564574
N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566712
5-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzene-1,3-dicarboxylic acid
CID 84567726
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 84564566
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 84567767
N-(2-chloro-4-nitrophenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567777
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 84567801

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide (CID 84568196) is N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide is Cc1ccc(C)c(NC(=O)CN(CCC(=O)Nc2cc(Cl)ccn2)C2CC2)c1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is NWIKEIDFMPHYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-14-3-4-15(2)18(11-14)24-21(28)13-26(17-5-6-17)10-8-20(27)25-19-12-16(22)7-9-23-19/h3-4,7,9,11-12,17H,5-6,8,10,13H2,1-2H3,(H,24,28)(H,23,25,27).
What are the key properties of N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?
N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 400.91 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 84568196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).