(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone

C17H27N3O — CID 104691766

IUPAC(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCCCCC1CC
InChIInChI=1S/C17H27N3O/c1-3-10-19-16-9-11-18-13-15(16)17(21)20-12-7-5-6-8-14(20)4-2/h9,11,13-14H,3-8,10,12H2,1-2H3,(H,18,19)
InChIKeyZSEKZIBLKSPQSI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.70
Rot. Bonds5

About (2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone

(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone (PubChem CID 104691766) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
PubChem CID104691766
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCCCCC1CC
InChIInChI=1S/C17H27N3O/c1-3-10-19-16-9-11-18-13-15(16)17(21)20-12-7-5-6-8-14(20)4-2/h9,11,13-14H,3-8,10,12H2,1-2H3,(H,18,19)
InChIKeyZSEKZIBLKSPQSI-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81245049
(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071156
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238615
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105067784
[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83044104
[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 105071000
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81240564
[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 81234090

Frequently Asked Questions

What is the IUPAC name of (2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone (CID 104691766) is (2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone is CCCNc1ccncc1C(=O)N1CCCCCC1CC.
What is the InChIKey of (2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The InChIKey is ZSEKZIBLKSPQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-10-19-16-9-11-18-13-15(16)17(21)20-12-7-5-6-8-14(20)4-2/h9,11,13-14H,3-8,10,12H2,1-2H3,(H,18,19).
What are the key properties of (2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone has a molecular weight of 289.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 104691766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).