N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide

C15H17N3O2 — CID 81445429

IUPACN-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide
SMILESNCCCN(C(=O)c1ccncc1O)c1ccccc1
InChIInChI=1S/C15H17N3O2/c16-8-4-10-18(12-5-2-1-3-6-12)15(20)13-7-9-17-11-14(13)19/h1-3,5-7,9,11,19H,4,8,10,16H2
InChIKeyVHFAXTSTNKEWNC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.78
Rot. Bonds5

About N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide

N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide (PubChem CID 81445429) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide
PubChem CID81445429
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide
SMILESNCCCN(C(=O)c1ccncc1O)c1ccccc1
InChIInChI=1S/C15H17N3O2/c16-8-4-10-18(12-5-2-1-3-6-12)15(20)13-7-9-17-11-14(13)19/h1-3,5-7,9,11,19H,4,8,10,16H2
InChIKeyVHFAXTSTNKEWNC-UHFFFAOYSA-N
XLogP1.78
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81440121
N-(3-aminopropyl)-2-hydroxy-N-phenylbenzamide
CID 16791949
N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide
CID 43135936
N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446026
N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide
CID 62648465
N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide
CID 104668847
N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 28767903
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
CID 28766720
3-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 80707419
2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide
CID 81494005
tris(3-hydroxy-N-(2-methoxyethyl)-N-methylpyridine-4-carboxamide);iron(3+)
CID 161269738
N-(2-aminophenyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81446196

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide (CID 81445429) is N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide is NCCCN(C(=O)c1ccncc1O)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide?
The InChIKey is VHFAXTSTNKEWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-8-4-10-18(12-5-2-1-3-6-12)15(20)13-7-9-17-11-14(13)19/h1-3,5-7,9,11,19H,4,8,10,16H2.
What are the key properties of N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide?
N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 81445429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).