3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide

C11H14N4O — CID 114766134

IUPAC3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1cc(C#N)cc(C)n1
InChIInChI=1S/C11H14N4O/c1-8-5-9(7-12)6-10(15-8)14-4-3-11(16)13-2/h5-6H,3-4H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyROIGKEOTWHGFPP-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.81
Rot. Bonds4

About 3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide

3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide (PubChem CID 114766134) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide
PubChem CID114766134
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1cc(C#N)cc(C)n1
InChIInChI=1S/C11H14N4O/c1-8-5-9(7-12)6-10(15-8)14-4-3-11(16)13-2/h5-6H,3-4H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyROIGKEOTWHGFPP-UHFFFAOYSA-N
XLogP0.81
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
CID 114765934
4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
CID 114765908
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate
CID 114766558
4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid
CID 114765429
2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
3-(4-cyanoanilino)-N-methylpropanamide
CID 60967721
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338610
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933
1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid
CID 114765459
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide (CID 114766134) is 3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide is CNC(=O)CCNc1cc(C#N)cc(C)n1.
What is the InChIKey of 3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide?
The InChIKey is ROIGKEOTWHGFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-5-9(7-12)6-10(15-8)14-4-3-11(16)13-2/h5-6H,3-4H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide?
3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide has a molecular weight of 218.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide is sourced from PubChem (CID 114766134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).