4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile

C14H13N3O — CID 115480865

IUPAC4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile
SMILESCc1ccnc(N)c1C(O)c1ccc(C#N)cc1
InChIInChI=1S/C14H13N3O/c1-9-6-7-17-14(16)12(9)13(18)11-4-2-10(8-15)3-5-11/h2-7,13,18H,1H3,(H2,16,17)
InChIKeyUWTOMTBLUDIYMW-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.93
Rot. Bonds2

About 4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile

4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile (PubChem CID 115480865) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile
PubChem CID115480865
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile
SMILESCc1ccnc(N)c1C(O)c1ccc(C#N)cc1
InChIInChI=1S/C14H13N3O/c1-9-6-7-17-14(16)12(9)13(18)11-4-2-10(8-15)3-5-11/h2-7,13,18H,1H3,(H2,16,17)
InChIKeyUWTOMTBLUDIYMW-UHFFFAOYSA-N
XLogP1.93
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile;ethane
CID 143811392
(2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol
CID 115527804
(2-amino-4-methyl-3-pyridinyl)-(2-methylfuran-3-yl)methanol
CID 104789433
(2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol
CID 64832179
1-(2-amino-4-methyl-3-pyridinyl)-2-cyclopropylethane-1,2-diol
CID 103456736
4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile
CID 125469519
4-(2,4-dihydroxypentan-3-yl)benzonitrile;iron
CID 169008870
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374
4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 65482779
4-[(S)-hydroxy-(2-propan-2-yloxypyrimidin-5-yl)methyl]benzonitrile
CID 129388238
(2-amino-4-methyl-3-pyridinyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 81305114
4-[hydroxy-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]benzonitrile
CID 67435807

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile?
The IUPAC name of 4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile (CID 115480865) is 4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile.
What is the SMILES notation for 4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile?
The canonical SMILES for 4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile is Cc1ccnc(N)c1C(O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile?
The InChIKey is UWTOMTBLUDIYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-6-7-17-14(16)12(9)13(18)11-4-2-10(8-15)3-5-11/h2-7,13,18H,1H3,(H2,16,17).
What are the key properties of 4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile?
4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile is sourced from PubChem (CID 115480865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).