[6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone

C16H26N4O — CID 119471683

IUPAC[6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
SMILESCCCN(CC)c1ccc(C(=O)N2CCNCC2C)cn1
InChIInChI=1S/C16H26N4O/c1-4-9-19(5-2)15-7-6-14(12-18-15)16(21)20-10-8-17-11-13(20)3/h6-7,12-13,17H,4-5,8-11H2,1-3H3
InChIKeyMWXYOOYRLQNCQB-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.75
Rot. Bonds5

About [6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone

[6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone (PubChem CID 119471683) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
PubChem CID119471683
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
SMILESCCCN(CC)c1ccc(C(=O)N2CCNCC2C)cn1
InChIInChI=1S/C16H26N4O/c1-4-9-19(5-2)15-7-6-14(12-18-15)16(21)20-10-8-17-11-13(20)3/h6-7,12-13,17H,4-5,8-11H2,1-3H3
InChIKeyMWXYOOYRLQNCQB-UHFFFAOYSA-N
XLogP1.75
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone (CID 119471683) is [6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone is CCCN(CC)c1ccc(C(=O)N2CCNCC2C)cn1.
What is the InChIKey of [6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone?
The InChIKey is MWXYOOYRLQNCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-9-19(5-2)15-7-6-14(12-18-15)16(21)20-10-8-17-11-13(20)3/h6-7,12-13,17H,4-5,8-11H2,1-3H3.
What are the key properties of [6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone?
[6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119471683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).