2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide

C15H16ClN3O2 — CID 28901836

IUPAC2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCCCO)nc1)c1ccccc1Cl
InChIInChI=1S/C15H16ClN3O2/c16-13-5-2-1-4-12(13)15(21)19-11-6-7-14(18-10-11)17-8-3-9-20/h1-2,4-7,10,20H,3,8-9H2,(H,17,18)(H,19,21)
InChIKeyJXOJIAMKJMBENK-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.78
Rot. Bonds6

About 2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide

2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide (PubChem CID 28901836) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide
PubChem CID28901836
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCCCO)nc1)c1ccccc1Cl
InChIInChI=1S/C15H16ClN3O2/c16-13-5-2-1-4-12(13)15(21)19-11-6-7-14(18-10-11)17-8-3-9-20/h1-2,4-7,10,20H,3,8-9H2,(H,17,18)(H,19,21)
InChIKeyJXOJIAMKJMBENK-UHFFFAOYSA-N
XLogP2.78
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015233
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 28901850
N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
N-[6-(5-hydroxypentylamino)-3-pyridinyl]furan-2-carboxamide
CID 28901222
N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide
CID 113030002
2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
CID 113023141
2-amino-N-[6-(5-hydroxypentylamino)-3-pyridinyl]acetamide
CID 39179919
3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
CID 29043106
3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide
CID 113010961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide (CID 28901836) is 2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide is O=C(Nc1ccc(NCCCO)nc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide?
The InChIKey is JXOJIAMKJMBENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-13-5-2-1-4-12(13)15(21)19-11-6-7-14(18-10-11)17-8-3-9-20/h1-2,4-7,10,20H,3,8-9H2,(H,17,18)(H,19,21).
What are the key properties of 2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide?
2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide has a molecular weight of 305.76 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 28901836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).