2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide

C13H18N4O — CID 60658746

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc(C)cc(C)c1C#N
InChIInChI=1S/C13H18N4O/c1-5-15-13(18)10(4)17-12-11(7-14)8(2)6-9(3)16-12/h6,10H,5H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyUCKSLOBOHRGWKV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.51
Rot. Bonds4

About 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide (PubChem CID 60658746) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide
PubChem CID60658746
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc(C)cc(C)c1C#N
InChIInChI=1S/C13H18N4O/c1-5-15-13(18)10(4)17-12-11(7-14)8(2)6-9(3)16-12/h6,10H,5H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyUCKSLOBOHRGWKV-UHFFFAOYSA-N
XLogP1.51
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide
CID 115626557
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 79249172
4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile
CID 106230781
4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile
CID 63510639
3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid
CID 81065386
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
CID 102906163
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 103819962
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide
CID 63757679
4,6-dimethyl-2-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 78966758
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide
CID 78911718
N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80800769
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108432

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide (CID 60658746) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1nc(C)cc(C)c1C#N.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide?
The InChIKey is UCKSLOBOHRGWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-5-15-13(18)10(4)17-12-11(7-14)8(2)6-9(3)16-12/h6,10H,5H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 60658746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).