2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile

C13H15N5O — CID 43260776

IUPAC2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile
SMILESN#CCN(CC#N)c1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C13H15N5O/c14-5-7-18(8-6-15)12-4-3-11(16)13(17-12)19-9-10-1-2-10/h3-4,10H,1-2,7-9,16H2
InChIKeyCVEIGLBZRPEPKC-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.31
Rot. Bonds6

About 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile

2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile (PubChem CID 43260776) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile
PubChem CID43260776
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile
SMILESN#CCN(CC#N)c1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C13H15N5O/c14-5-7-18(8-6-15)12-4-3-11(16)13(17-12)19-9-10-1-2-10/h3-4,10H,1-2,7-9,16H2
InChIKeyCVEIGLBZRPEPKC-UHFFFAOYSA-N
XLogP1.31
TPSA98.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile?
The IUPAC name of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile (CID 43260776) is 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile.
What is the SMILES notation for 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile?
The canonical SMILES for 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile is N#CCN(CC#N)c1ccc(N)c(OCC2CC2)n1.
What is the InChIKey of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile?
The InChIKey is CVEIGLBZRPEPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-5-7-18(8-6-15)12-4-3-11(16)13(17-12)19-9-10-1-2-10/h3-4,10H,1-2,7-9,16H2.
What are the key properties of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile?
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile has a molecular weight of 257.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile is sourced from PubChem (CID 43260776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).