N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide

C17H28N4O — CID 49172277

IUPACN-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
SMILESCCCCC(=O)NCc1ccnc(N2CCN(CC)CC2)c1
InChIInChI=1S/C17H28N4O/c1-3-5-6-17(22)19-14-15-7-8-18-16(13-15)21-11-9-20(4-2)10-12-21/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,19,22)
InChIKeyMJHSTBOSVKWZGU-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.03
Rot. Bonds7

About N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide

N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide (PubChem CID 49172277) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
PubChem CID49172277
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
SMILESCCCCC(=O)NCc1ccnc(N2CCN(CC)CC2)c1
InChIInChI=1S/C17H28N4O/c1-3-5-6-17(22)19-14-15-7-8-18-16(13-15)21-11-9-20(4-2)10-12-21/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,19,22)
InChIKeyMJHSTBOSVKWZGU-UHFFFAOYSA-N
XLogP2.03
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide
CID 86882069
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 49266569
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186075
4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide
CID 37313546
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide
CID 55911750
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 47925567
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide (CID 49172277) is N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide is CCCCC(=O)NCc1ccnc(N2CCN(CC)CC2)c1.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide?
The InChIKey is MJHSTBOSVKWZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-5-6-17(22)19-14-15-7-8-18-16(13-15)21-11-9-20(4-2)10-12-21/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,19,22).
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide?
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide has a molecular weight of 304.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide is sourced from PubChem (CID 49172277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).