2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide

C18H23ClN4O — CID 113010953

IUPAC2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide
SMILESCN(C)CCCNc1ccc(NC(=O)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H23ClN4O/c1-23(2)11-3-10-20-17-9-8-16(13-21-17)22-18(24)12-14-4-6-15(19)7-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyLBLGGSGZFXRGIZ-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.28
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide

2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide (PubChem CID 113010953) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide
PubChem CID113010953
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide
SMILESCN(C)CCCNc1ccc(NC(=O)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H23ClN4O/c1-23(2)11-3-10-20-17-9-8-16(13-21-17)22-18(24)12-14-4-6-15(19)7-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyLBLGGSGZFXRGIZ-UHFFFAOYSA-N
XLogP3.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
CID 113009343
3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide
CID 113010961
2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039920
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide
CID 113010701
2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide
CID 113009090
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113040148
4-[[5-[3-(dimethylamino)propylamino]-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187475
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
2-(4-fluorophenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010349

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide (CID 113010953) is 2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide is CN(C)CCCNc1ccc(NC(=O)Cc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide?
The InChIKey is LBLGGSGZFXRGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-23(2)11-3-10-20-17-9-8-16(13-21-17)22-18(24)12-14-4-6-15(19)7-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide?
2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide has a molecular weight of 346.86 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide is sourced from PubChem (CID 113010953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).