N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide

C13H22N4O — CID 80630091

IUPACN-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
SMILESCCCNCc1ccc(N(C)CC(=O)NC)nc1
InChIInChI=1S/C13H22N4O/c1-4-7-15-8-11-5-6-12(16-9-11)17(3)10-13(18)14-2/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,14,18)
InChIKeyPUQPNVMFJMRCPT-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.76
Rot. Bonds7

About N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide

N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide (PubChem CID 80630091) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
PubChem CID80630091
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
SMILESCCCNCc1ccc(N(C)CC(=O)NC)nc1
InChIInChI=1S/C13H22N4O/c1-4-7-15-8-11-5-6-12(16-9-11)17(3)10-13(18)14-2/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,14,18)
InChIKeyPUQPNVMFJMRCPT-UHFFFAOYSA-N
XLogP0.76
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.76
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide (CID 80630091) is N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide is CCCNCc1ccc(N(C)CC(=O)NC)nc1.
What is the InChIKey of N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide?
The InChIKey is PUQPNVMFJMRCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-7-15-8-11-5-6-12(16-9-11)17(3)10-13(18)14-2/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,14,18).
What are the key properties of N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide?
N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide has a molecular weight of 250.35 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 80630091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).