3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide

C15H16ClN3O2 — CID 110499911

IUPAC3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccnc2Cl)cc1N
InChIInChI=1S/C15H16ClN3O2/c1-2-8-21-13-6-5-10(9-11(13)17)15(20)19-12-4-3-7-18-14(12)16/h3-7,9H,2,8,17H2,1H3,(H,19,20)
InChIKeyDTWJEZDYVVIYCQ-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.36
Rot. Bonds5

About 3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide

3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide (PubChem CID 110499911) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide
PubChem CID110499911
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccnc2Cl)cc1N
InChIInChI=1S/C15H16ClN3O2/c1-2-8-21-13-6-5-10(9-11(13)17)15(20)19-12-4-3-7-18-14(12)16/h3-7,9H,2,8,17H2,1H3,(H,19,20)
InChIKeyDTWJEZDYVVIYCQ-UHFFFAOYSA-N
XLogP3.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide
CID 110499819
3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
CID 110499834
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 8740378
2-amino-N-(2-chloro-3-pyridinyl)-6-methoxybenzamide
CID 81421056
methyl 3-amino-4-propoxybenzoate
CID 43380309
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
3-amino-N-(2-methyl-5-nitrophenyl)-4-propoxybenzamide
CID 110499809
4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide
CID 84551755
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide
CID 103607627

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide?
The IUPAC name of 3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide (CID 110499911) is 3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide.
What is the SMILES notation for 3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide?
The canonical SMILES for 3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccnc2Cl)cc1N.
What is the InChIKey of 3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide?
The InChIKey is DTWJEZDYVVIYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-2-8-21-13-6-5-10(9-11(13)17)15(20)19-12-4-3-7-18-14(12)16/h3-7,9H,2,8,17H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide?
3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide has a molecular weight of 305.77 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide is sourced from PubChem (CID 110499911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).