ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate

C11H13N3O2 — CID 62925360

IUPACethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccnc(C#N)c1
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)8(2)14-9-4-5-13-10(6-9)7-12/h4-6,8H,3H2,1-2H3,(H,13,14)
InChIKeyNADDIJQWWVKNHJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.32
Rot. Bonds4

About ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate

ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate (PubChem CID 62925360) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate
PubChem CID62925360
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccnc(C#N)c1
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)8(2)14-9-4-5-13-10(6-9)7-12/h4-6,8H,3H2,1-2H3,(H,13,14)
InChIKeyNADDIJQWWVKNHJ-UHFFFAOYSA-N
XLogP1.32
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-cyano-4-pyridinyl)amino]propanamide
CID 62926737
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081
2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103110286
3-[(2-cyano-4-pyridinyl)amino]butanoic acid
CID 62926548
4-(octan-2-ylamino)pyridine-2-carbonitrile
CID 62924662
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile
CID 106230805
2-[(2-cyano-4-pyridinyl)amino]acetamide
CID 62924991
methyl 2-[(2-cyano-4-pyridinyl)methylamino]propanoate
CID 63880745
4-(1-phenylethylamino)pyridine-2-carbonitrile
CID 62925339
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide
CID 55210692

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate (CID 62925360) is ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate is CCOC(=O)C(C)Nc1ccnc(C#N)c1.
What is the InChIKey of ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate?
The InChIKey is NADDIJQWWVKNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-16-11(15)8(2)14-9-4-5-13-10(6-9)7-12/h4-6,8H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate?
ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate has a molecular weight of 219.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate is sourced from PubChem (CID 62925360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).