3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile

C14H14N4O — CID 107231916

IUPAC3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCc2cccc(CO)c2)ccc1N
InChIInChI=1S/C14H14N4O/c15-7-13-12(16)4-5-14(18-13)17-8-10-2-1-3-11(6-10)9-19/h1-6,19H,8-9,16H2,(H,17,18)
InChIKeyNLDLLOBVJNTZCD-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.64
Rot. Bonds4

About 3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile

3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile (PubChem CID 107231916) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile
PubChem CID107231916
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCc2cccc(CO)c2)ccc1N
InChIInChI=1S/C14H14N4O/c15-7-13-12(16)4-5-14(18-13)17-8-10-2-1-3-11(6-10)9-19/h1-6,19H,8-9,16H2,(H,17,18)
InChIKeyNLDLLOBVJNTZCD-UHFFFAOYSA-N
XLogP1.64
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
[3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231693
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231936
3-amino-6-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 103468594
3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 103468207
3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
CID 107845785
3-amino-6-[2-(2-hydroxyethoxy)ethylamino]pyridine-2-carbonitrile
CID 103468258
3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile
CID 103469216
3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 103468304
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214
3-[[(6-amino-2-pyridinyl)amino]methyl]benzonitrile
CID 80647387

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile (CID 107231916) is 3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile is N#Cc1nc(NCc2cccc(CO)c2)ccc1N.
What is the InChIKey of 3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is NLDLLOBVJNTZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-7-13-12(16)4-5-14(18-13)17-8-10-2-1-3-11(6-10)9-19/h1-6,19H,8-9,16H2,(H,17,18).
What are the key properties of 3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile?
3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 107231916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).