N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide

C15H13N3O3 — CID 107690785

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide
SMILESNCC#Cc1ccnc(NC(=O)c2c(O)cccc2O)c1
InChIInChI=1S/C15H13N3O3/c16-7-2-3-10-6-8-17-13(9-10)18-15(21)14-11(19)4-1-5-12(14)20/h1,4-6,8-9,19-20H,7,16H2,(H,17,18,21)
InChIKeyWQBTXKCYEIBBMS-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.06
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide (PubChem CID 107690785) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide
PubChem CID107690785
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide
SMILESNCC#Cc1ccnc(NC(=O)c2c(O)cccc2O)c1
InChIInChI=1S/C15H13N3O3/c16-7-2-3-10-6-8-17-13(9-10)18-15(21)14-11(19)4-1-5-12(14)20/h1,4-6,8-9,19-20H,7,16H2,(H,17,18,21)
InChIKeyWQBTXKCYEIBBMS-UHFFFAOYSA-N
XLogP1.06
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 102821364
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
CID 102821435
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,4-dimethylbenzamide
CID 102821474
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
CID 102821396
2,6-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820907
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
CID 102821471
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 102821306
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-fluoro-3-methylbenzamide
CID 102821459
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide
CID 102821357
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 102821500
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107016186
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
CID 102821254

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide (CID 107690785) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide is NCC#Cc1ccnc(NC(=O)c2c(O)cccc2O)c1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide?
The InChIKey is WQBTXKCYEIBBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c16-7-2-3-10-6-8-17-13(9-10)18-15(21)14-11(19)4-1-5-12(14)20/h1,4-6,8-9,19-20H,7,16H2,(H,17,18,21).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide has a molecular weight of 283.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide is sourced from PubChem (CID 107690785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).