N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide

C11H15N3O — CID 86152430

IUPACN-[(6-methyl-2-pyridinyl)methylideneamino]butanamide
SMILESCCCC(=O)NN=Cc1cccc(C)n1
InChIInChI=1S/C11H15N3O/c1-3-5-11(15)14-12-8-10-7-4-6-9(2)13-10/h4,6-8H,3,5H2,1-2H3,(H,14,15)
InChIKeyGUZPREACKWOCOK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.64
Rot. Bonds4

About N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide

N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide (PubChem CID 86152430) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methylideneamino]butanamide
PubChem CID86152430
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[(6-methyl-2-pyridinyl)methylideneamino]butanamide
SMILESCCCC(=O)NN=Cc1cccc(C)n1
InChIInChI=1S/C11H15N3O/c1-3-5-11(15)14-12-8-10-7-4-6-9(2)13-10/h4,6-8H,3,5H2,1-2H3,(H,14,15)
InChIKeyGUZPREACKWOCOK-UHFFFAOYSA-N
XLogP1.64
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
CID 6371795
2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
CID 6078297
1-butyl-3-[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 3005785
copper 1-butyl-3-[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 50911193
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546
3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea
CID 3005700
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042
N-[(E)-benzylideneamino]butanamide
CID 6872028
(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide
CID 94849044
copper;bis(methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate)
CID 50919597
copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate
CID 175779142
bis(methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate);zinc
CID 50918126

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide (CID 86152430) is N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide is CCCC(=O)NN=Cc1cccc(C)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide?
The InChIKey is GUZPREACKWOCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-5-11(15)14-12-8-10-7-4-6-9(2)13-10/h4,6-8H,3,5H2,1-2H3,(H,14,15).
What are the key properties of N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide?
N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide has a molecular weight of 205.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide is sourced from PubChem (CID 86152430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).