[5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C18H28N4O — CID 109230117

IUPAC[5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(NC3CCCCCC3)c2)CC1
InChIInChI=1S/C18H28N4O/c1-21-8-10-22(11-9-21)18(23)15-12-17(14-19-13-15)20-16-6-4-2-3-5-7-16/h12-14,16,20H,2-11H2,1H3
InChIKeyFEBMQMBBMWYKFN-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.60
Rot. Bonds3

About [5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109230117) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109230117
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(NC3CCCCCC3)c2)CC1
InChIInChI=1S/C18H28N4O/c1-21-8-10-22(11-9-21)18(23)15-12-17(14-19-13-15)20-16-6-4-2-3-5-7-16/h12-14,16,20H,2-11H2,1H3
InChIKeyFEBMQMBBMWYKFN-UHFFFAOYSA-N
XLogP2.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104440
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109226885
5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223234
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230234
N-[4-[[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109230186
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226454
5-(cyclopentylamino)-N-cyclopropylpyridine-3-carboxamide
CID 109223558
[5-(3,4-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230218
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone
CID 109223799
[5-(cyclopentylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109226236

Frequently Asked Questions

What is the IUPAC name of [5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109230117) is [5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cncc(NC3CCCCCC3)c2)CC1.
What is the InChIKey of [5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FEBMQMBBMWYKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-21-8-10-22(11-9-21)18(23)15-12-17(14-19-13-15)20-16-6-4-2-3-5-7-16/h12-14,16,20H,2-11H2,1H3.
What are the key properties of [5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 316.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109230117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).