2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide

C16H18N4O3 — CID 173090852

IUPAC2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide
SMILESNC(=O)c1cc(O)ccc1CCC(=O)NCc1ccc(N)nc1
InChIInChI=1S/C16H18N4O3/c17-14-5-1-10(8-19-14)9-20-15(22)6-3-11-2-4-12(21)7-13(11)16(18)23/h1-2,4-5,7-8,21H,3,6,9H2,(H2,17,19)(H2,18,23)(H,20,22)
InChIKeyXTKLXHKQBRSNJO-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.72
Rot. Bonds6

About 2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide

2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide (PubChem CID 173090852) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide.

Molecular Properties

Compound Name2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide
PubChem CID173090852
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide
SMILESNC(=O)c1cc(O)ccc1CCC(=O)NCc1ccc(N)nc1
InChIInChI=1S/C16H18N4O3/c17-14-5-1-10(8-19-14)9-20-15(22)6-3-11-2-4-12(21)7-13(11)16(18)23/h1-2,4-5,7-8,21H,3,6,9H2,(H2,17,19)(H2,18,23)(H,20,22)
InChIKeyXTKLXHKQBRSNJO-UHFFFAOYSA-N
XLogP0.72
TPSA131.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 173090462
1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide
CID 173090884
4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide
CID 86819891
3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 62995351
2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 103892047
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide
CID 173090979
ethyl 2-[(6-amino-3-pyridinyl)methylcarbamothioylamino]acetate
CID 87327145
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850314
(2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3-methylphenyl)propanediamide
CID 68996888
3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 51087807
(2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide
CID 68996544

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide?
The IUPAC name of 2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide (CID 173090852) is 2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide.
What is the SMILES notation for 2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide?
The canonical SMILES for 2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide is NC(=O)c1cc(O)ccc1CCC(=O)NCc1ccc(N)nc1.
What is the InChIKey of 2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide?
The InChIKey is XTKLXHKQBRSNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c17-14-5-1-10(8-19-14)9-20-15(22)6-3-11-2-4-12(21)7-13(11)16(18)23/h1-2,4-5,7-8,21H,3,6,9H2,(H2,17,19)(H2,18,23)(H,20,22).
What are the key properties of 2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide?
2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide has a molecular weight of 314.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide is sourced from PubChem (CID 173090852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).