[4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone

C16H24N4O — CID 62176965

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone
SMILESCCNc1ccc(C(=O)N2CCN(CC3CC3)CC2)cn1
InChIInChI=1S/C16H24N4O/c1-2-17-15-6-5-14(11-18-15)16(21)20-9-7-19(8-10-20)12-13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,17,18)
InChIKeyKASKWFNPKPZUSA-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.68
Rot. Bonds5

About [4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone

[4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone (PubChem CID 62176965) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone
PubChem CID62176965
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone
SMILESCCNc1ccc(C(=O)N2CCN(CC3CC3)CC2)cn1
InChIInChI=1S/C16H24N4O/c1-2-17-15-6-5-14(11-18-15)16(21)20-9-7-19(8-10-20)12-13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,17,18)
InChIKeyKASKWFNPKPZUSA-UHFFFAOYSA-N
XLogP1.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
(4-ethylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62172305
[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112628648
(2,6-dimethylmorpholin-4-yl)-[6-(ethylamino)-3-pyridinyl]methanone
CID 62171862
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[6-(ethylamino)-3-pyridinyl]methanone
CID 104960451
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
[6-(ethylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62165751
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
N-(cyclopropylmethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62180065

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone (CID 62176965) is [4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone is CCNc1ccc(C(=O)N2CCN(CC3CC3)CC2)cn1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone?
The InChIKey is KASKWFNPKPZUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-17-15-6-5-14(11-18-15)16(21)20-9-7-19(8-10-20)12-13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,17,18).
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone has a molecular weight of 288.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 62176965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).