2-(2-cyano-4-pyridinyl)propanamide

C9H9N3O — CID 166846712

IUPAC2-(2-cyano-4-pyridinyl)propanamide
SMILESCC(C(N)=O)c1ccnc(C#N)c1
InChIInChI=1S/C9H9N3O/c1-6(9(11)13)7-2-3-12-8(4-7)5-10/h2-4,6H,1H3,(H2,11,13)
InChIKeyVKDRNHAEMJBKEJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.54
Rot. Bonds2

About 2-(2-cyano-4-pyridinyl)propanamide

2-(2-cyano-4-pyridinyl)propanamide (PubChem CID 166846712) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(2-cyano-4-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(2-cyano-4-pyridinyl)propanamide
PubChem CID166846712
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(2-cyano-4-pyridinyl)propanamide
SMILESCC(C(N)=O)c1ccnc(C#N)c1
InChIInChI=1S/C9H9N3O/c1-6(9(11)13)7-2-3-12-8(4-7)5-10/h2-4,6H,1H3,(H2,11,13)
InChIKeyVKDRNHAEMJBKEJ-UHFFFAOYSA-N
XLogP0.54
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-4-pyridinyl)propanoic acid
CID 22939335
2-[(2-cyano-4-pyridinyl)amino]propanamide
CID 62926737
4-(1-hydroxypropyl)pyridine-2-carbonitrile
CID 170592928
methyl 2-[(2-cyano-4-pyridinyl)methylamino]propanoate
CID 63880745
ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate
CID 62925360
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide
CID 130489703
2-[(2-cyano-4-pyridinyl)amino]acetamide
CID 62924991
N-[4-(2-cyano-4-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882726
3-[(2-cyano-4-pyridinyl)amino]butanoic acid
CID 62926548
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-(1-phenylethylamino)pyridine-2-carbonitrile
CID 62925339

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-pyridinyl)propanamide?
The IUPAC name of 2-(2-cyano-4-pyridinyl)propanamide (CID 166846712) is 2-(2-cyano-4-pyridinyl)propanamide.
What is the SMILES notation for 2-(2-cyano-4-pyridinyl)propanamide?
The canonical SMILES for 2-(2-cyano-4-pyridinyl)propanamide is CC(C(N)=O)c1ccnc(C#N)c1.
What is the InChIKey of 2-(2-cyano-4-pyridinyl)propanamide?
The InChIKey is VKDRNHAEMJBKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6(9(11)13)7-2-3-12-8(4-7)5-10/h2-4,6H,1H3,(H2,11,13).
What are the key properties of 2-(2-cyano-4-pyridinyl)propanamide?
2-(2-cyano-4-pyridinyl)propanamide has a molecular weight of 175.19 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-pyridinyl)propanamide is sourced from PubChem (CID 166846712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).