N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide

C16H28N4O — CID 106916830

IUPACN,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide
SMILESCCCNCc1cnc(N(C)CC(C)C(=O)NC)c(C)c1
InChIInChI=1S/C16H28N4O/c1-6-7-18-9-14-8-12(2)15(19-10-14)20(5)11-13(3)16(21)17-4/h8,10,13,18H,6-7,9,11H2,1-5H3,(H,17,21)
InChIKeyHPCROTDWCBFSDQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.71
Rot. Bonds8

About N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide

N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide (PubChem CID 106916830) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide
PubChem CID106916830
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide
SMILESCCCNCc1cnc(N(C)CC(C)C(=O)NC)c(C)c1
InChIInChI=1S/C16H28N4O/c1-6-7-18-9-14-8-12(2)15(19-10-14)20(5)11-13(3)16(21)17-4/h8,10,13,18H,6-7,9,11H2,1-5H3,(H,17,21)
InChIKeyHPCROTDWCBFSDQ-UHFFFAOYSA-N
XLogP1.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.71
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

N-ethyl-2-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80629706
N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine
CID 80635878
2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol
CID 80635329
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629655
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
CID 80629864
N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80636506
1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 80632443
3-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916871
1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
CID 80635864
(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124678709
5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 106917773

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide (CID 106916830) is N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide is CCCNCc1cnc(N(C)CC(C)C(=O)NC)c(C)c1.
What is the InChIKey of N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide?
The InChIKey is HPCROTDWCBFSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-7-18-9-14-8-12(2)15(19-10-14)20(5)11-13(3)16(21)17-4/h8,10,13,18H,6-7,9,11H2,1-5H3,(H,17,21).
What are the key properties of N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide?
N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide has a molecular weight of 292.43 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 106916830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).