4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide

C11H14N4O — CID 114765908

IUPAC4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
SMILESCc1cc(C#N)cc(NCCCC(N)=O)n1
InChIInChI=1S/C11H14N4O/c1-8-5-9(7-12)6-11(15-8)14-4-2-3-10(13)16/h5-6H,2-4H2,1H3,(H2,13,16)(H,14,15)
InChIKeyQMJBKFIOXJHBJK-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.94
Rot. Bonds5

About 4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide

4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide (PubChem CID 114765908) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide.

Molecular Properties

Compound Name4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
PubChem CID114765908
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
SMILESCc1cc(C#N)cc(NCCCC(N)=O)n1
InChIInChI=1S/C11H14N4O/c1-8-5-9(7-12)6-11(15-8)14-4-2-3-10(13)16/h5-6H,2-4H2,1H3,(H2,13,16)(H,14,15)
InChIKeyQMJBKFIOXJHBJK-UHFFFAOYSA-N
XLogP0.94
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate
CID 114766558
3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide
CID 114766134
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
CID 114765934
2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide
CID 62482794
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
5-[(2-amino-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106241520
4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid
CID 114765429
2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile
CID 114766602
5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
CID 114162867

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide?
The IUPAC name of 4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide (CID 114765908) is 4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide.
What is the SMILES notation for 4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide?
The canonical SMILES for 4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide is Cc1cc(C#N)cc(NCCCC(N)=O)n1.
What is the InChIKey of 4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide?
The InChIKey is QMJBKFIOXJHBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-5-9(7-12)6-11(15-8)14-4-2-3-10(13)16/h5-6H,2-4H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide?
4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide has a molecular weight of 218.26 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide is sourced from PubChem (CID 114765908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).