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

C15H23N3O — CID 105071156

IUPAC(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
SMILESCCC1CCCCCN1C(=O)c1ccncc1NC
InChIInChI=1S/C15H23N3O/c1-3-12-7-5-4-6-10-18(12)15(19)13-8-9-17-11-14(13)16-2/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKeyMEYJWNXOHTTWBH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.92
Rot. Bonds3

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

(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone (PubChem CID 105071156) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
PubChem CID105071156
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
SMILESCCC1CCCCCN1C(=O)c1ccncc1NC
InChIInChI=1S/C15H23N3O/c1-3-12-7-5-4-6-10-18(12)15(19)13-8-9-17-11-14(13)16-2/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKeyMEYJWNXOHTTWBH-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105067784
[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone
CID 105071412
(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 104691766
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 105071000
(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071029
(3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone
CID 104692785
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 105064068
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522

Frequently Asked Questions

What is the IUPAC name of (2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of (2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone (CID 105071156) is (2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for (2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone is CCC1CCCCCN1C(=O)c1ccncc1NC.
What is the InChIKey of (2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
The InChIKey is MEYJWNXOHTTWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-12-7-5-4-6-10-18(12)15(19)13-8-9-17-11-14(13)16-2/h8-9,11-12,16H,3-7,10H2,1-2H3.
What are the key properties of (2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105071156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).