3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide

C15H17N3O3 — CID 168597603

IUPAC3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(NCC(O)CO)c1
InChIInChI=1S/C15H17N3O3/c19-10-14(20)9-17-12-4-1-3-11(7-12)15(21)18-13-5-2-6-16-8-13/h1-8,14,17,19-20H,9-10H2,(H,18,21)
InChIKeyBXQFAXXULDCEBI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.10
Rot. Bonds6

About 3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide

3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide (PubChem CID 168597603) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide
PubChem CID168597603
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(NCC(O)CO)c1
InChIInChI=1S/C15H17N3O3/c19-10-14(20)9-17-12-4-1-3-11(7-12)15(21)18-13-5-2-6-16-8-13/h1-8,14,17,19-20H,9-10H2,(H,18,21)
InChIKeyBXQFAXXULDCEBI-UHFFFAOYSA-N
XLogP1.10
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide
CID 168594455
3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide
CID 168596635
5-[[3-(2,3-dihydroxypropylamino)benzoyl]amino]-2-hydroxybenzoic acid
CID 168595086
3-formamido-N-pyridin-3-ylbenzamide
CID 168654563
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 56763143
3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide
CID 168638185
N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide (CID 168597603) is 3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cccc(NCC(O)CO)c1.
What is the InChIKey of 3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide?
The InChIKey is BXQFAXXULDCEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-14(20)9-17-12-4-1-3-11(7-12)15(21)18-13-5-2-6-16-8-13/h1-8,14,17,19-20H,9-10H2,(H,18,21).
What are the key properties of 3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide?
3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide has a molecular weight of 287.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 168597603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).