3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide

C17H21ClN4O — CID 113010961

IUPAC3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide
SMILESCN(C)CCCNc1ccc(NC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C17H21ClN4O/c1-22(2)10-4-9-19-16-8-7-15(12-20-16)21-17(23)13-5-3-6-14(18)11-13/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyPRDPBZMAAIUVOI-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.35
Rot. Bonds7

About 3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide

3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide (PubChem CID 113010961) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide
PubChem CID113010961
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide
SMILESCN(C)CCCNc1ccc(NC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C17H21ClN4O/c1-22(2)10-4-9-19-16-8-7-15(12-20-16)21-17(23)13-5-3-6-14(18)11-13/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyPRDPBZMAAIUVOI-UHFFFAOYSA-N
XLogP3.35
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.35
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-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154328
2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide
CID 113010953
3-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011684
N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154345
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide
CID 113009751
3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024131
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028357
4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
CID 113025721
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide (CID 113010961) is 3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide is CN(C)CCCNc1ccc(NC(=O)c2cccc(Cl)c2)cn1.
What is the InChIKey of 3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide?
The InChIKey is PRDPBZMAAIUVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-22(2)10-4-9-19-16-8-7-15(12-20-16)21-17(23)13-5-3-6-14(18)11-13/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of 3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide?
3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide has a molecular weight of 332.84 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113010961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).