N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide

C18H30N4O — CID 143695850

IUPACN-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCCN(Cc1ccc(N2CCN(C)CC2)nc1)C(=O)C(C)(C)C
InChIInChI=1S/C18H30N4O/c1-6-21(17(23)18(2,3)4)14-15-7-8-16(19-13-15)22-11-9-20(5)10-12-22/h7-8,13H,6,9-12,14H2,1-5H3
InChIKeyWWUFHXHHYORWNU-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.23
Rot. Bonds4

About N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide

N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 143695850) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
PubChem CID143695850
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCCN(Cc1ccc(N2CCN(C)CC2)nc1)C(=O)C(C)(C)C
InChIInChI=1S/C18H30N4O/c1-6-21(17(23)18(2,3)4)14-15-7-8-16(19-13-15)22-11-9-20(5)10-12-22/h7-8,13H,6,9-12,14H2,1-5H3
InChIKeyWWUFHXHHYORWNU-UHFFFAOYSA-N
XLogP2.23
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648
4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide
CID 143696048
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
CID 166010057
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155944947
N,N-dimethyl-4-[[[N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111875213
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 86665640
1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 51084129
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;hydrobromide
CID 87943984

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide (CID 143695850) is N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide is CCN(Cc1ccc(N2CCN(C)CC2)nc1)C(=O)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is WWUFHXHHYORWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-6-21(17(23)18(2,3)4)14-15-7-8-16(19-13-15)22-11-9-20(5)10-12-22/h7-8,13H,6,9-12,14H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 318.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 143695850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).