N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide

C16H15N3O2 — CID 60814416

IUPACN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2cccc(C#CCN)n2)c1
InChIInChI=1S/C16H15N3O2/c1-11-7-8-14(20)13(10-11)16(21)19-15-6-2-4-12(18-15)5-3-9-17/h2,4,6-8,10,20H,9,17H2,1H3,(H,18,19,21)
InChIKeyRNJGFGJHUMPEEE-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.66
Rot. Bonds2

About N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide (PubChem CID 60814416) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide
PubChem CID60814416
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2cccc(C#CCN)n2)c1
InChIInChI=1S/C16H15N3O2/c1-11-7-8-14(20)13(10-11)16(21)19-15-6-2-4-12(18-15)5-3-9-17/h2,4,6-8,10,20H,9,17H2,1H3,(H,18,19,21)
InChIKeyRNJGFGJHUMPEEE-UHFFFAOYSA-N
XLogP1.66
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide
CID 115299483
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-chloro-2-methylbenzamide
CID 82874779
5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 60803839
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-5-methylbenzamide
CID 81315693
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 79214105
6-[(2-hydroxy-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63642015
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-2-fluorobenzamide
CID 81267639
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide
CID 60814077
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide
CID 62874149
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide
CID 60813067
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-cyanobenzamide
CID 60814076
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 104786313

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide (CID 60814416) is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)Nc2cccc(C#CCN)n2)c1.
What is the InChIKey of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is RNJGFGJHUMPEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-7-8-14(20)13(10-11)16(21)19-15-6-2-4-12(18-15)5-3-9-17/h2,4,6-8,10,20H,9,17H2,1H3,(H,18,19,21).
What are the key properties of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide?
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 281.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 60814416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).