N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide

C16H19N3O2 — CID 107366166

IUPACN-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1ncccc1O
InChIInChI=1S/C16H19N3O2/c17-9-5-11-19(12-13-6-2-1-3-7-13)16(21)15-14(20)8-4-10-18-15/h1-4,6-8,10,20H,5,9,11-12,17H2
InChIKeyMYHPJVAXALZTHF-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.78
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide

N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide (PubChem CID 107366166) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide
PubChem CID107366166
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1ncccc1O
InChIInChI=1S/C16H19N3O2/c17-9-5-11-19(12-13-6-2-1-3-7-13)16(21)15-14(20)8-4-10-18-15/h1-4,6-8,10,20H,5,9,11-12,17H2
InChIKeyMYHPJVAXALZTHF-UHFFFAOYSA-N
XLogP1.78
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide
CID 107365765
N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
CID 107365924
3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 110886937
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593
N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide
CID 107365685
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide (CID 107366166) is N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide is NCCCN(Cc1ccccc1)C(=O)c1ncccc1O.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide?
The InChIKey is MYHPJVAXALZTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-9-5-11-19(12-13-6-2-1-3-7-13)16(21)15-14(20)8-4-10-18-15/h1-4,6-8,10,20H,5,9,11-12,17H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide?
N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 107366166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).