3-[(2-cyano-4-pyridinyl)amino]butanoic acid

C10H11N3O2 — CID 62926548

IUPAC3-[(2-cyano-4-pyridinyl)amino]butanoic acid
SMILESCC(CC(=O)O)Nc1ccnc(C#N)c1
InChIInChI=1S/C10H11N3O2/c1-7(4-10(14)15)13-8-2-3-12-9(5-8)6-11/h2-3,5,7H,4H2,1H3,(H,12,13)(H,14,15)
InChIKeyATAWFHYYYVVBLR-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.23
Rot. Bonds4

About 3-[(2-cyano-4-pyridinyl)amino]butanoic acid

3-[(2-cyano-4-pyridinyl)amino]butanoic acid (PubChem CID 62926548) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-[(2-cyano-4-pyridinyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-cyano-4-pyridinyl)amino]butanoic acid
PubChem CID62926548
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-[(2-cyano-4-pyridinyl)amino]butanoic acid
SMILESCC(CC(=O)O)Nc1ccnc(C#N)c1
InChIInChI=1S/C10H11N3O2/c1-7(4-10(14)15)13-8-2-3-12-9(5-8)6-11/h2-3,5,7H,4H2,1H3,(H,12,13)(H,14,15)
InChIKeyATAWFHYYYVVBLR-UHFFFAOYSA-N
XLogP1.23
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 107542834
2-[(2-cyano-4-pyridinyl)amino]propanamide
CID 62926737
ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate
CID 62925360
3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid
CID 43517687
4-(octan-2-ylamino)pyridine-2-carbonitrile
CID 62924662
2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103110286
4-(1-phenylethylamino)pyridine-2-carbonitrile
CID 62925339
(3S)-3-(pyridin-4-ylamino)butanoic acid;dihydrochloride
CID 71432875
2-[(2-cyano-4-pyridinyl)amino]acetamide
CID 62924991
2-(2-cyano-4-pyridinyl)propanoic acid
CID 22939335
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 3-[(2-cyano-4-pyridinyl)amino]butanoic acid?
The IUPAC name of 3-[(2-cyano-4-pyridinyl)amino]butanoic acid (CID 62926548) is 3-[(2-cyano-4-pyridinyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-cyano-4-pyridinyl)amino]butanoic acid?
The canonical SMILES for 3-[(2-cyano-4-pyridinyl)amino]butanoic acid is CC(CC(=O)O)Nc1ccnc(C#N)c1.
What is the InChIKey of 3-[(2-cyano-4-pyridinyl)amino]butanoic acid?
The InChIKey is ATAWFHYYYVVBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(4-10(14)15)13-8-2-3-12-9(5-8)6-11/h2-3,5,7H,4H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(2-cyano-4-pyridinyl)amino]butanoic acid?
3-[(2-cyano-4-pyridinyl)amino]butanoic acid has a molecular weight of 205.22 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyano-4-pyridinyl)amino]butanoic acid is sourced from PubChem (CID 62926548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).