N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide

C13H20N2O — CID 134458855

IUPACN-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide
SMILESC=C1C=C(N(C)C=O)C(CCCC)=CN1C
InChIInChI=1S/C13H20N2O/c1-5-6-7-12-9-14(3)11(2)8-13(12)15(4)10-16/h8-10H,2,5-7H2,1,3-4H3
InChIKeyMVTPUQUNGQVMNU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.49
Rot. Bonds5

About N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide

N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide (PubChem CID 134458855) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide.

Molecular Properties

Compound NameN-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide
PubChem CID134458855
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide
SMILESC=C1C=C(N(C)C=O)C(CCCC)=CN1C
InChIInChI=1S/C13H20N2O/c1-5-6-7-12-9-14(3)11(2)8-13(12)15(4)10-16/h8-10H,2,5-7H2,1,3-4H3
InChIKeyMVTPUQUNGQVMNU-UHFFFAOYSA-N
XLogP2.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide?
The IUPAC name of N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide (CID 134458855) is N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide.
What is the SMILES notation for N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide?
The canonical SMILES for N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide is C=C1C=C(N(C)C=O)C(CCCC)=CN1C.
What is the InChIKey of N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide?
The InChIKey is MVTPUQUNGQVMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-6-7-12-9-14(3)11(2)8-13(12)15(4)10-16/h8-10H,2,5-7H2,1,3-4H3.
What are the key properties of N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide?
N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide has a molecular weight of 220.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1-methyl-2-methylidene-4-pyridinyl)-N-methylformamide is sourced from PubChem (CID 134458855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).