2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide

C13H18N4O2 — CID 114766588

IUPAC2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1cc(C#N)cc(C)n1
InChIInChI=1S/C13H18N4O2/c1-9-6-11(8-14)7-12(16-9)17-10(2)13(18)15-4-5-19-3/h6-7,10H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyGQJJYSINTBPUPS-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.82
Rot. Bonds6

About 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide

2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 114766588) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID114766588
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1cc(C#N)cc(C)n1
InChIInChI=1S/C13H18N4O2/c1-9-6-11(8-14)7-12(16-9)17-10(2)13(18)15-4-5-19-3/h6-7,10H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyGQJJYSINTBPUPS-UHFFFAOYSA-N
XLogP0.82
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114766584
methyl 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-3-hydroxypropanoate
CID 114770412
2-methyl-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]pyridine-4-carbonitrile
CID 114766592
2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766557
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106768280
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
CID 114765934
2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 60919147
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate
CID 114766558
2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113408047
N-(2-methoxyethyl)-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]propanamide
CID 114255815
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555
2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766702

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide (CID 114766588) is 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is GQJJYSINTBPUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-6-11(8-14)7-12(16-9)17-10(2)13(18)15-4-5-19-3/h6-7,10H,4-5H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 262.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 114766588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).