(2S,4R)-2,4-dicyano-3-propylpentanediamide

C10H14N4O2 — CID 92532958

IUPAC(2S,4R)-2,4-dicyano-3-propylpentanediamide
SMILESCCCC([C@H](C#N)C(N)=O)[C@@H](C#N)C(N)=O
InChIInChI=1S/C10H14N4O2/c1-2-3-6(7(4-11)9(13)15)8(5-12)10(14)16/h6-8H,2-3H2,1H3,(H2,13,15)(H2,14,16)/t6?,7-,8+
InChIKeySSZZFXSTSMZPAD-IEESLHIDSA-N
MW222.25 g/mol
LogP-0.35
Rot. Bonds6

About (2S,4R)-2,4-dicyano-3-propylpentanediamide

(2S,4R)-2,4-dicyano-3-propylpentanediamide (PubChem CID 92532958) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (2S,4R)-2,4-dicyano-3-propylpentanediamide.

Molecular Properties

Compound Name(2S,4R)-2,4-dicyano-3-propylpentanediamide
PubChem CID92532958
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name(2S,4R)-2,4-dicyano-3-propylpentanediamide
SMILESCCCC([C@H](C#N)C(N)=O)[C@@H](C#N)C(N)=O
InChIInChI=1S/C10H14N4O2/c1-2-3-6(7(4-11)9(13)15)8(5-12)10(14)16/h6-8H,2-3H2,1H3,(H2,13,15)(H2,14,16)/t6?,7-,8+
InChIKeySSZZFXSTSMZPAD-IEESLHIDSA-N
XLogP-0.35
TPSA133.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dicyano-3-ethylpentanediamide
CID 10013275
methyl 2-cyano-3-propan-2-ylhexanoate
CID 54152185
3,3-dichloro-2-cyanopropanamide
CID 175353061
3-oxo-2-propan-2-yl-4-propylheptanenitrile
CID 82984267
2-cyanononanamide
CID 91478546
2-cyano-3-[(2,4,6-trichlorophenyl)diazenyl]hexanamide
CID 54154979
2,3-dicyano-4-ethoxy-4-oxobutanoic acid
CID 90947432
ethyl 3-but-3-enyl-2-cyanohept-6-enoate
CID 117060496
ethyl 2-cyano-3,4-dimethyl-5-oxohexanoate
CID 121223182
2-cyano-3-oxopentanamide
CID 174475780
diethyl 2-cyano-3-pentylbutanedioate
CID 12743785
methyl 2-cyanopentaneperoxoate
CID 21263469

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-dicyano-3-propylpentanediamide?
The IUPAC name of (2S,4R)-2,4-dicyano-3-propylpentanediamide (CID 92532958) is (2S,4R)-2,4-dicyano-3-propylpentanediamide.
What is the SMILES notation for (2S,4R)-2,4-dicyano-3-propylpentanediamide?
The canonical SMILES for (2S,4R)-2,4-dicyano-3-propylpentanediamide is CCCC([C@H](C#N)C(N)=O)[C@@H](C#N)C(N)=O.
What is the InChIKey of (2S,4R)-2,4-dicyano-3-propylpentanediamide?
The InChIKey is SSZZFXSTSMZPAD-IEESLHIDSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-2-3-6(7(4-11)9(13)15)8(5-12)10(14)16/h6-8H,2-3H2,1H3,(H2,13,15)(H2,14,16)/t6?,7-,8+.
What are the key properties of (2S,4R)-2,4-dicyano-3-propylpentanediamide?
(2S,4R)-2,4-dicyano-3-propylpentanediamide has a molecular weight of 222.25 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4-dicyano-3-propylpentanediamide is sourced from PubChem (CID 92532958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).