4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide

C14H15N3O2 — CID 79776352

IUPAC4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NCc1ccc(O)cn1
InChIInChI=1S/C14H15N3O2/c1-9-6-10(14(15)19)2-5-13(9)17-7-11-3-4-12(18)8-16-11/h2-6,8,17-18H,7H2,1H3,(H2,15,19)
InChIKeyNRHQSYXNSQUBAE-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.81
Rot. Bonds4

About 4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide

4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide (PubChem CID 79776352) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide
PubChem CID79776352
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NCc1ccc(O)cn1
InChIInChI=1S/C14H15N3O2/c1-9-6-10(14(15)19)2-5-13(9)17-7-11-3-4-12(18)8-16-11/h2-6,8,17-18H,7H2,1H3,(H2,15,19)
InChIKeyNRHQSYXNSQUBAE-UHFFFAOYSA-N
XLogP1.81
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-methylbenzamide
CID 107337787
6-[(2-methoxy-4-methylanilino)methyl]pyridin-3-ol
CID 79782889
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 79782258
6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol
CID 79775709
4-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-3-methylbenzamide
CID 66269874
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol
CID 79775559
4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide
CID 166321411
4-[(3-fluoro-2-hydroxyphenyl)methylamino]-3-methylbenzamide
CID 115951248
6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol
CID 79776132
4-[(3-bromothiophen-2-yl)methylamino]-3-methylbenzamide
CID 113298001

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide?
The IUPAC name of 4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide (CID 79776352) is 4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide.
What is the SMILES notation for 4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide?
The canonical SMILES for 4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NCc1ccc(O)cn1.
What is the InChIKey of 4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide?
The InChIKey is NRHQSYXNSQUBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-6-10(14(15)19)2-5-13(9)17-7-11-3-4-12(18)8-16-11/h2-6,8,17-18H,7H2,1H3,(H2,15,19).
What are the key properties of 4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide?
4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide has a molecular weight of 257.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide is sourced from PubChem (CID 79776352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).