3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile

C13H19N5O — CID 114399414

IUPAC3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCCN1CCOC(CNc2nccc(C#N)c2N)C1
InChIInChI=1S/C13H19N5O/c1-2-18-5-6-19-11(9-18)8-17-13-12(15)10(7-14)3-4-16-13/h3-4,11H,2,5-6,8-9,15H2,1H3,(H,16,17)
InChIKeyOYRGDWSEFVPXFK-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.67
Rot. Bonds4

About 3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile

3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 114399414) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile
PubChem CID114399414
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCCN1CCOC(CNc2nccc(C#N)c2N)C1
InChIInChI=1S/C13H19N5O/c1-2-18-5-6-19-11(9-18)8-17-13-12(15)10(7-14)3-4-16-13/h3-4,11H,2,5-6,8-9,15H2,1H3,(H,16,17)
InChIKeyOYRGDWSEFVPXFK-UHFFFAOYSA-N
XLogP0.67
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile
CID 114399276
4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine
CID 114401447
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile
CID 22110783
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114401101
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylimidazol-2-amine
CID 114400676
3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 114135773
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
CID 114399235
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile
CID 82817445
4-N-[(4-ethylmorpholin-2-yl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115643858

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile (CID 114399414) is 3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile is CCN1CCOC(CNc2nccc(C#N)c2N)C1.
What is the InChIKey of 3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is OYRGDWSEFVPXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-18-5-6-19-11(9-18)8-17-13-12(15)10(7-14)3-4-16-13/h3-4,11H,2,5-6,8-9,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile?
3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 114399414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).